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

C11H8N2O3S — CID 106696187

IUPAC5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2ccccn2)nc1C(=O)O
InChIInChI=1S/C11H8N2O3S/c1-6(14)9-8(11(15)16)13-10(17-9)7-4-2-3-5-12-7/h2-5H,1H3,(H,15,16)
InChIKeyRUTIYCQPOLVDAH-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.11
Rot. Bonds3

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

5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 106696187) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID106696187
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(-c2ccccn2)nc1C(=O)O
InChIInChI=1S/C11H8N2O3S/c1-6(14)9-8(11(15)16)13-10(17-9)7-4-2-3-5-12-7/h2-5H,1H3,(H,15,16)
InChIKeyRUTIYCQPOLVDAH-UHFFFAOYSA-N
XLogP2.11
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
5-acetyl-2-isoquinolin-1-yl-1,3-thiazole-4-carboxylic acid
CID 106696372
5-acetyl-2-(2-amino-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 107380209
5-acetyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696108
1-(4-hydroxy-2-pyridin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 136993019
5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696152
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227073
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 82069071

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid (CID 106696187) is 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(-c2ccccn2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is RUTIYCQPOLVDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c1-6(14)9-8(11(15)16)13-10(17-9)7-4-2-3-5-12-7/h2-5H,1H3,(H,15,16).
What are the key properties of 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).