4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid

C12H12N2O4S — CID 114207510

IUPAC4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid
SMILESCCC(c1nccs1)n1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C12H12N2O4S/c1-2-8(11-13-3-4-19-11)14-9(12(17)18)5-7(15)6-10(14)16/h3-6,8,15H,2H2,1H3,(H,17,18)
InChIKeyYQFXFSMVWQZWQQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.71
Rot. Bonds4

About 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid

4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid (PubChem CID 114207510) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid
PubChem CID114207510
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid
SMILESCCC(c1nccs1)n1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C12H12N2O4S/c1-2-8(11-13-3-4-19-11)14-9(12(17)18)5-7(15)6-10(14)16/h3-6,8,15H,2H2,1H3,(H,17,18)
InChIKeyYQFXFSMVWQZWQQ-UHFFFAOYSA-N
XLogP1.71
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid (CID 114207510) is 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid is CCC(c1nccs1)n1c(C(=O)O)cc(O)cc1=O.
What is the InChIKey of 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid?
The InChIKey is YQFXFSMVWQZWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-2-8(11-13-3-4-19-11)14-9(12(17)18)5-7(15)6-10(14)16/h3-6,8,15H,2H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid?
4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114207510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).