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101257-38-9 | 4-Thiazolecarboxylic acid, hydrazide
CAS No: 101257-38-9 Catalog No: AG00043D MDL No:MFCD00614363
Product Description
Catalog Number:
AG00043D
Chemical Name:
4-Thiazolecarboxylic acid, hydrazide
CAS Number:
101257-38-9
Molecular Formula:
C4H5N3OS
Molecular Weight:
143.1670
MDL Number:
MFCD00614363
IUPAC Name:
1,3-thiazole-4-carbohydrazide
InChI:
InChI=1S/C4H5N3OS/c5-7-4(8)3-1-9-2-6-3/h1-2H,5H2,(H,7,8)
InChI Key:
PZCUPAZNRMQILK-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cscn1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.164g/mol
Monoisotopic Mass:
143.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives. | Journal of medicinal chemistry 20040715 |
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