1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide

C9H11N5OS — CID 146121249

IUPAC1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)nn1)c1cncs1
InChIInChI=1S/C9H11N5OS/c1-6(8-3-10-5-16-8)11-9(15)7-4-14(2)13-12-7/h3-6H,1-2H3,(H,11,15)
InChIKeyDCOWQXAFWKRFEN-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.76
Rot. Bonds3

About 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide

1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide (PubChem CID 146121249) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
PubChem CID146121249
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)nn1)c1cncs1
InChIInChI=1S/C9H11N5OS/c1-6(8-3-10-5-16-8)11-9(15)7-4-14(2)13-12-7/h3-6H,1-2H3,(H,11,15)
InChIKeyDCOWQXAFWKRFEN-UHFFFAOYSA-N
XLogP0.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide 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 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide (CID 146121249) is 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide is CC(NC(=O)c1cn(C)nn1)c1cncs1.
What is the InChIKey of 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide?
The InChIKey is DCOWQXAFWKRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-6(8-3-10-5-16-8)11-9(15)7-4-14(2)13-12-7/h3-6H,1-2H3,(H,11,15).
What are the key properties of 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide?
1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 146121249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).