2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid

C13H13N5O4S — CID 118712301

IUPAC2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2ncc(C(=O)O)s2)cn1
InChIInChI=1S/C13H13N5O4S/c1-2-14-12(22)17-9-4-3-7(5-15-9)10(19)18-13-16-6-8(23-13)11(20)21/h3-6H,2H2,1H3,(H,20,21)(H,16,18,19)(H2,14,15,17,22)
InChIKeyFTJURNSPWPKGJD-UHFFFAOYSA-N
MW335.35 g/mol
LogP1.63
Rot. Bonds5

About 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid

2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 118712301) has the molecular formula C13H13N5O4S and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID118712301
Molecular FormulaC13H13N5O4S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC Name2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2ncc(C(=O)O)s2)cn1
InChIInChI=1S/C13H13N5O4S/c1-2-14-12(22)17-9-4-3-7(5-15-9)10(19)18-13-16-6-8(23-13)11(20)21/h3-6H,2H2,1H3,(H,20,21)(H,16,18,19)(H2,14,15,17,22)
InChIKeyFTJURNSPWPKGJD-UHFFFAOYSA-N
XLogP1.63
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-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 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid (CID 118712301) is 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid is CCNC(=O)Nc1ccc(C(=O)Nc2ncc(C(=O)O)s2)cn1.
What is the InChIKey of 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FTJURNSPWPKGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4S/c1-2-14-12(22)17-9-4-3-7(5-15-9)10(19)18-13-16-6-8(23-13)11(20)21/h3-6H,2H2,1H3,(H,20,21)(H,16,18,19)(H2,14,15,17,22).
What are the key properties of 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid?
2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 335.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 118712301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).