5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid

C11H10N4O3S — CID 63824516

IUPAC5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
SMILESO=C(NCc1cscn1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H10N4O3S/c16-10(17)7-1-8(3-12-2-7)15-11(18)13-4-9-5-19-6-14-9/h1-3,5-6H,4H2,(H,16,17)(H2,13,15,18)
InChIKeyXVSANMBLTMDQQJ-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.56
Rot. Bonds4

About 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid

5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid (PubChem CID 63824516) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
PubChem CID63824516
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
SMILESO=C(NCc1cscn1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H10N4O3S/c16-10(17)7-1-8(3-12-2-7)15-11(18)13-4-9-5-19-6-14-9/h1-3,5-6H,4H2,(H,16,17)(H2,13,15,18)
InChIKeyXVSANMBLTMDQQJ-UHFFFAOYSA-N
XLogP1.56
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid (CID 63824516) is 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid is O=C(NCc1cscn1)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid?
The InChIKey is XVSANMBLTMDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c16-10(17)7-1-8(3-12-2-7)15-11(18)13-4-9-5-19-6-14-9/h1-3,5-6H,4H2,(H,16,17)(H2,13,15,18).
What are the key properties of 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid?
5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63824516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).