6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid

C10H8N2O3S — CID 112641073

IUPAC6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2cncs2)c1
InChIInChI=1S/C10H8N2O3S/c13-9-2-1-7(10(14)15)4-12(9)5-8-3-11-6-16-8/h1-4,6H,5H2,(H,14,15)
InChIKeyHRMRSUPYKQGJIU-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.05
Rot. Bonds3

About 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid

6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid (PubChem CID 112641073) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid
PubChem CID112641073
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2cncs2)c1
InChIInChI=1S/C10H8N2O3S/c13-9-2-1-7(10(14)15)4-12(9)5-8-3-11-6-16-8/h1-4,6H,5H2,(H,14,15)
InChIKeyHRMRSUPYKQGJIU-UHFFFAOYSA-N
XLogP1.05
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazol-5-ylmethyl)indole-7-carboxylic acid
CID 112641095
1-(1,3-thiazol-5-ylmethyl)indole-4-carboxylic acid
CID 112641074
3-(1,3-thiazol-5-ylmethyl)-1H-imidazol-2-one
CID 103126048
1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 107043943
4-(1,3-thiazol-5-ylmethylsulfonyl)benzoic acid
CID 112640645
1-[(5-nitrofuran-2-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 63936391
4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide
CID 166339786
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
CID 30056609
1-(2-ethylbutyl)-6-oxopyridine-3-carboxylic acid
CID 82928739
1-[(2-methoxy-4-pyridinyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 62993708
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate
CID 141395976

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid (CID 112641073) is 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2cncs2)c1.
What is the InChIKey of 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid?
The InChIKey is HRMRSUPYKQGJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-9-2-1-7(10(14)15)4-12(9)5-8-3-11-6-16-8/h1-4,6H,5H2,(H,14,15).
What are the key properties of 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid?
6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 112641073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).