2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid

C9H7N3O2S — CID 80570815

IUPAC2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cccnc2)s1
InChIInChI=1S/C9H7N3O2S/c13-8(14)7-5-11-9(15-7)12-6-2-1-3-10-4-6/h1-5H,(H,11,12)(H,13,14)
InChIKeyKLYUIJNVNFEJSU-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.98
Rot. Bonds3

About 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid

2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80570815) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80570815
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cccnc2)s1
InChIInChI=1S/C9H7N3O2S/c13-8(14)7-5-11-9(15-7)12-6-2-1-3-10-4-6/h1-5H,(H,11,12)(H,13,14)
InChIKeyKLYUIJNVNFEJSU-UHFFFAOYSA-N
XLogP1.98
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
2-(2,6-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571332
(2-anilino-1,3-thiazol-5-yl)-phenylmethanone
CID 1482526
2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571776
2-(3,5-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571652
5-(4-phenylphenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide
CID 134103716
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018
N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid (CID 80570815) is 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Nc2cccnc2)s1.
What is the InChIKey of 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is KLYUIJNVNFEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-8(14)7-5-11-9(15-7)12-6-2-1-3-10-4-6/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid?
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).