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6039-97-0 | 4-Thiazoline-2-one
CAS No: 6039-97-0 Catalog No: AG00F35P MDL No:MFCD02094166
Product Description
Catalog Number:
AG00F35P
Chemical Name:
4-Thiazoline-2-one
CAS Number:
6039-97-0
Molecular Formula:
C3H3NOS
Molecular Weight:
101.1270
MDL Number:
MFCD02094166
IUPAC Name:
3H-1,3-thiazol-2-one
InChI:
InChI=1S/C3H3NOS/c5-3-4-1-2-6-3/h1-2H,(H,4,5)
InChI Key:
CZWWCTHQXBMHDA-UHFFFAOYSA-N
SMILES:
O=c1scc[nH]1
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.994g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
101.123g/mol
Monoisotopic Mass:
100.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors. | PloS one 20120101 |
| Endogenous 2-oxoglutarate levels impact potencies of competitive HIF prolyl hydroxylase inhibitors. | Pharmacological research 20110901 |
| Thiamin (vitamin B1) biosynthesis and regulation: a rich source of antimicrobial drug targets? | International journal of biological sciences 20110101 |
| (Z)-2-Amino-5-[2,4-dimeth-oxy-6-(4-methoxy-styr-yl)benzyl-idene]-1,3-thia-zol-4(5H)-one methanol solvate. | Acta crystallographica. Section E, Structure reports online 20100701 |
| Synthesis of isothiazol-3-one derivatives as inhibitors of histone acetyltransferases (HATs). | Bioorganic & medicinal chemistry 20090115 |
| Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: reducing pregnane X receptor activity and exploring activity in a monkey pharmacodynamic model. | Journal of medicinal chemistry 20081225 |
| Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors. | Journal of computer-aided molecular design 20081001 |
| 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice. | Journal of medicinal chemistry 20080522 |
| 1,6,6-Trimethyl-1H-chromeno[6,7-d]thia-zol-2(6H)-one. | Acta crystallographica. Section E, Structure reports online 20080501 |
| Evaluation of a series of bicyclic CXCR2 antagonists. | Bioorganic & medicinal chemistry letters 20080115 |
| Inhibitors of 11beta-HSD1: a potential treatment for the metabolic syndrome. | Current topics in medicinal chemistry 20080101 |
| The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors. | Bioorganic & medicinal chemistry letters 20071115 |
| Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: convergence of structure-based drug design and X-ray crystallographic study. | Bioorganic & medicinal chemistry letters 20070401 |
| Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. | Bioorganic & medicinal chemistry letters 20061115 |
| High-pressure Raman studies on aqueous protonated thiazole: presence of charge-enhanced C-H...O hydrogen bonds. | The journal of physical chemistry. B 20051208 |
| Multiple tandem mass spectrometry-based investigation of the behaviour of some thiazol-benzimidazolones and 2-benzimidazolylsulfanyl ethanones. | European journal of mass spectrometry (Chichester, England) 20050101 |
| Inhibition of the Escherichia coli pyruvate dehydrogenase complex E1 subunit and its tyrosine 177 variants by thiamin 2-thiazolone and thiamin 2-thiothiazolone diphosphates. Evidence for reversible tight-binding inhibition. | The Journal of biological chemistry 20011207 |
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