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1086380-26-8 | 2-Amino-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid
CAS No: 1086380-26-8 Catalog No: AG01F85I MDL No:
Product Description
Catalog Number:
AG01F85I
Chemical Name:
2-Amino-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid
CAS Number:
1086380-26-8
Molecular Formula:
C9H7N3O2S
Molecular Weight:
221.2358
IUPAC Name:
2-amino-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H7N3O2S/c10-9-12-6(8(13)14)7(15-9)5-2-1-3-11-4-5/h1-4H,(H2,10,12)(H,13,14)
InChI Key:
LSHMEKRTDXQFFO-UHFFFAOYSA-N
SMILES:
Nc1nc(c(s1)c1cccnc1)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.234g/mol
Monoisotopic Mass:
221.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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