5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid

C11H9N3O4S — CID 106383121

IUPAC5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1csc(=O)[nH]1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H9N3O4S/c15-9(13-4-7-5-19-11(18)14-7)6-1-2-8(10(16)17)12-3-6/h1-3,5H,4H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyIEBPLOHSPVTREH-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.46
Rot. Bonds4

About 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid

5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 106383121) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID106383121
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1csc(=O)[nH]1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C11H9N3O4S/c15-9(13-4-7-5-19-11(18)14-7)6-1-2-8(10(16)17)12-3-6/h1-3,5H,4H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyIEBPLOHSPVTREH-UHFFFAOYSA-N
XLogP0.46
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186
4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103775053
5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 103775088
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383401
5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 113429061
6-amino-5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862859
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 103775064
5-[(3-bromothiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 78925537
3-chloro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862828
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 55171882

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 106383121) is 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid is O=C(NCc1csc(=O)[nH]1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is IEBPLOHSPVTREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-9(13-4-7-5-19-11(18)14-7)6-1-2-8(10(16)17)12-3-6/h1-3,5H,4H2,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid?
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 279.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106383121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).