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

C11H10N4O4S — CID 106382731

IUPAC3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESO=C(NCc1csc(=O)[nH]1)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H10N4O4S/c16-9(17)8-7(2-1-3-12-8)15-10(18)13-4-6-5-20-11(19)14-6/h1-3,5H,4H2,(H,14,19)(H,16,17)(H2,13,15,18)
InChIKeyUFWCGGKZZCSYNQ-UHFFFAOYSA-N
MW294.29 g/mol
LogP0.85
Rot. Bonds4

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

3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (PubChem CID 106382731) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
PubChem CID106382731
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESO=C(NCc1csc(=O)[nH]1)Nc1cccnc1C(=O)O
InChIInChI=1S/C11H10N4O4S/c16-9(17)8-7(2-1-3-12-8)15-10(18)13-4-6-5-20-11(19)14-6/h1-3,5H,4H2,(H,14,19)(H,16,17)(H2,13,15,18)
InChIKeyUFWCGGKZZCSYNQ-UHFFFAOYSA-N
XLogP0.85
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382884
3-[(5-bromothiophen-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743674
5-bromo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382748
4-chloro-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382906
3-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382760
3-(3-hydroxyprop-1-ynyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106383172
2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 107358887
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447864
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743679
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106402593

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (CID 106382731) is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is O=C(NCc1csc(=O)[nH]1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is UFWCGGKZZCSYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c16-9(17)8-7(2-1-3-12-8)15-10(18)13-4-6-5-20-11(19)14-6/h1-3,5H,4H2,(H,14,19)(H,16,17)(H2,13,15,18).
What are the key properties of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 294.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106382731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).