2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid

C9H7N3O2S — CID 18322931

IUPAC2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C9H7N3O2S/c13-8(14)6-5-15-9(11-6)12-7-3-1-2-4-10-7/h1-5H,(H,13,14)(H,10,11,12)
InChIKeyBPCKVRSSTCYOCV-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.98
Rot. Bonds3

About 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid

2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 18322931) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID18322931
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C9H7N3O2S/c13-8(14)6-5-15-9(11-6)12-7-3-1-2-4-10-7/h1-5H,(H,13,14)(H,10,11,12)
InChIKeyBPCKVRSSTCYOCV-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-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 716091
2-(3-oxo-5-pyridin-4-yl-1H-pyrazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 137651644
2-[6-(Ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
CID 59208440
2-(Pyridin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 15623090
2-(3-Pyridyl)thiazole-4-carboxylic acid
CID 736513
2-(3-oxo-5-pyridin-2-yl-1H-pyrazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 137639445
2-(Pyridin-4-ylamino)-thiazole-4-carboxylic acid ethyl ester
CID 2742075
2-(isopropylamino)-N-(pyridin-2-yl)thiazole-4-carboxamide
CID 49657381
2-(cyclopentylamino)-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 51048999
2-(pyridin-2-ylamino)-N-(2,2,2-trifluoroethyl)thiazole-4-carboxamide
CID 52907421
Ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
CID 2996058
2-(Pyridin-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 52903584

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid (CID 18322931) is 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Nc2ccccn2)n1.
What is the InChIKey of 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is BPCKVRSSTCYOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-8(14)6-5-15-9(11-6)12-7-3-1-2-4-10-7/h1-5H,(H,13,14)(H,10,11,12).
What are the key properties of 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylic acid?
2-(pyridin-2-ylamino)-1,3-thiazole-4-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-2-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 18322931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).