1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide

C15H21N5OS — CID 70787719

IUPAC1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1cn(C2CCC(N)CC2)nn1
InChIInChI=1S/C15H21N5OS/c1-10-6-7-22-14(10)8-17-15(21)13-9-20(19-18-13)12-4-2-11(16)3-5-12/h6-7,9,11-12H,2-5,8,16H2,1H3,(H,17,21)
InChIKeyYATORCBQLMIHLQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide (PubChem CID 70787719) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide
PubChem CID70787719
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide
SMILESCc1ccsc1CNC(=O)c1cn(C2CCC(N)CC2)nn1
InChIInChI=1S/C15H21N5OS/c1-10-6-7-22-14(10)8-17-15(21)13-9-20(19-18-13)12-4-2-11(16)3-5-12/h6-7,9,11-12H,2-5,8,16H2,1H3,(H,17,21)
InChIKeyYATORCBQLMIHLQ-UHFFFAOYSA-N
XLogP2.02
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-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

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-5-methylthiophene-3-carboxamide
CID 69925805
US10344025, Example 556
CID 118640672
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 45887890
US10344025, Example 563
CID 118640665
1-(4-Fluorophenyl)-N-[1-(thiophen-2-YL)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 23610510
N-propan-2-yl-1-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]cyclohexyl]triazole-4-carboxamide
CID 42397518
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 49814913
1-(cis-4-aminocyclohexyl)-N-methyl-N-{2-[(4-methylphenyl)thio]ethyl}-1H-1,2,3-triazole-4-carboxamide
CID 70719925
1-(cis-4-aminocyclohexyl)-N-{3-[(4-methylphenyl)thio]propyl}-1H-1,2,3-triazole-4-carboxamide
CID 70723279
1-(2-aminoethyl)-N-methyl-N-{2-[(4-methylphenyl)thio]ethyl}-1H-1,2,3-triazole-4-carboxamide
CID 70729494
1-(cis-4-aminocyclohexyl)-N-ethyl-N-[2-(phenylthio)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70747048
N-(2-amino-5-thiophen-2-ylphenyl)-1-(5-phenylpentyl)triazole-4-carboxamide
CID 172439782

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide (CID 70787719) is 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide is Cc1ccsc1CNC(=O)c1cn(C2CCC(N)CC2)nn1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide?
The InChIKey is YATORCBQLMIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-6-7-22-14(10)8-17-15(21)13-9-20(19-18-13)12-4-2-11(16)3-5-12/h6-7,9,11-12H,2-5,8,16H2,1H3,(H,17,21).
What are the key properties of 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 70787719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).