2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide

C16H13N7OS — CID 122245691

IUPAC2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1cn(-c2cccs2)nn1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H13N7OS/c24-16(14-10-18-23(20-14)13-5-2-1-3-6-13)17-9-12-11-22(21-19-12)15-7-4-8-25-15/h1-8,10-11H,9H2,(H,17,24)
InChIKeyNFQOAHYRHPHTOB-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.84
Rot. Bonds5

About 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide

2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide (PubChem CID 122245691) has the molecular formula C16H13N7OS and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide
PubChem CID122245691
Molecular FormulaC16H13N7OS
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1cn(-c2cccs2)nn1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H13N7OS/c24-16(14-10-18-23(20-14)13-5-2-1-3-6-13)17-9-12-11-22(21-19-12)15-7-4-8-25-15/h1-8,10-11H,9H2,(H,17,24)
InChIKeyNFQOAHYRHPHTOB-UHFFFAOYSA-N
XLogP1.84
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]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

Related Compounds

2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2-(4-fluorophenyl)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]triazole-4-carboxamide
CID 71856711
2,2-dimethyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide
CID 126851390
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122688
N-[(4-methoxyphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 9400525
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 51295625
(E)-3-(2-chlorophenyl)-N-[(1-thiophen-2-yltriazol-4-yl)methyl]prop-2-enamide
CID 122245696
4-[(2-phenyltriazol-4-yl)methylcarbamoyl]benzoic acid
CID 167931495
1-[[(2-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544026
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 121195997

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide (CID 122245691) is 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide is O=C(NCc1cn(-c2cccs2)nn1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide?
The InChIKey is NFQOAHYRHPHTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS/c24-16(14-10-18-23(20-14)13-5-2-1-3-6-13)17-9-12-11-22(21-19-12)15-7-4-8-25-15/h1-8,10-11H,9H2,(H,17,24).
What are the key properties of 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide?
2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 122245691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).