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2862-33-1 | 5-Thiazolecarboxylic acid, 2-(acetylamino)-4-methyl-, ethyl ester
CAS No: 2862-33-1 Catalog No: AG002VW4 MDL No:MFCD00449854
Product Description
Catalog Number:
AG002VW4
Chemical Name:
5-Thiazolecarboxylic acid, 2-(acetylamino)-4-methyl-, ethyl ester
CAS Number:
2862-33-1
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD00449854
IUPAC Name:
ethyl 2-acetamido-4-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C9H12N2O3S/c1-4-14-8(13)7-5(2)10-9(15-7)11-6(3)12/h4H2,1-3H3,(H,10,11,12)
InChI Key:
QCZPLLWOPJAVSX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)NC(=O)C
NSC Number:
405297
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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