5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid

C9H7N3O2S — CID 83707486

IUPAC5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccccn2)nc1C(=O)O
InChIInChI=1S/C9H7N3O2S/c10-7-6(9(13)14)12-8(15-7)5-3-1-2-4-11-5/h1-4H,10H2,(H,13,14)
InChIKeyXEZIFNAITMKDBV-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.49
Rot. Bonds2

About 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid

5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 83707486) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID83707486
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccccn2)nc1C(=O)O
InChIInChI=1S/C9H7N3O2S/c10-7-6(9(13)14)12-8(15-7)5-3-1-2-4-11-5/h1-4H,10H2,(H,13,14)
InChIKeyXEZIFNAITMKDBV-UHFFFAOYSA-N
XLogP1.49
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783
2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 82069071
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227073
2,5-dipyridin-2-yl-1,3-thiazol-4-amine
CID 175286369
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid
CID 118992178
1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 136993019
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 58182177
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
4-oxo-2-pyridin-2-yl-1,3-benzothiazine-7-carboxylic acid
CID 22939340

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid (CID 83707486) is 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2ccccn2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is XEZIFNAITMKDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c10-7-6(9(13)14)12-8(15-7)5-3-1-2-4-11-5/h1-4H,10H2,(H,13,14).
What are the key properties of 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid?
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 221.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83707486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).