1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

C16H16N4O2S — CID 71791911

IUPAC1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C16H16N4O2S/c21-15(12-5-2-1-3-6-12)11-20-10-14(18-19-20)16(22)17-9-13-7-4-8-23-13/h1-8,10,15,21H,9,11H2,(H,17,22)
InChIKeyUMKDUPZHFNGDRW-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.00
Rot. Bonds6

About 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 71791911) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID71791911
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cn(CC(O)c2ccccc2)nn1
InChIInChI=1S/C16H16N4O2S/c21-15(12-5-2-1-3-6-12)11-20-10-14(18-19-20)16(22)17-9-13-7-4-8-23-13/h1-8,10,15,21H,9,11H2,(H,17,22)
InChIKeyUMKDUPZHFNGDRW-UHFFFAOYSA-N
XLogP2.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)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-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 71791911) is 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is O=C(NCc1cccs1)c1cn(CC(O)c2ccccc2)nn1.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is UMKDUPZHFNGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-15(12-5-2-1-3-6-12)11-20-10-14(18-19-20)16(22)17-9-13-7-4-8-23-13/h1-8,10,15,21H,9,11H2,(H,17,22).
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 71791911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).