200,000+ products from a single source!
sales@angenechem.com
117480-98-5 | 1H-Pyrazol-5-ol, 3-methyl-1-(4-phenyl-2-thiazolyl)-
CAS No: 117480-98-5 Catalog No: AG000ECL MDL No:
Product Description
Catalog Number:
AG000ECL
Chemical Name:
1H-Pyrazol-5-ol, 3-methyl-1-(4-phenyl-2-thiazolyl)-
CAS Number:
117480-98-5
Molecular Formula:
C13H11N3OS
Molecular Weight:
257.3109
IUPAC Name:
5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
InChI:
InChI=1S/C13H11N3OS/c1-9-7-12(17)16(15-9)13-14-11(8-18-13)10-5-3-2-4-6-10/h2-8,15H,1H3
InChI Key:
UIIZYLXNRBBJPM-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)O)c1scc(n1)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.311g/mol
Monoisotopic Mass:
257.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.