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1251716-89-8 | 5-Thiazolecarboxylic acid, 2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-
CAS No: 1251716-89-8 Catalog No: AG000NAM MDL No:
Product Description
Catalog Number:
AG000NAM
Chemical Name:
5-Thiazolecarboxylic acid, 2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-
CAS Number:
1251716-89-8
Molecular Formula:
C9H7ClN4O2S
Molecular Weight:
270.6955
IUPAC Name:
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C9H7ClN4O2S/c1-4-12-6(10)2-7(13-4)14-9-11-3-5(17-9)8(15)16/h2-3H,1H3,(H,15,16)(H,11,12,13,14)
InChI Key:
LEPDNDFKYFKQNP-UHFFFAOYSA-N
SMILES:
Clc1cc(nc(n1)C)Nc1ncc(s1)C(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.998g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.691g/mol
Monoisotopic Mass:
269.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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