[3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine

C14H19N3OS — CID 82037337

IUPAC[3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine
SMILESNCc1sccc1OC1CCCCC1n1ccnc1
InChIInChI=1S/C14H19N3OS/c15-9-14-13(5-8-19-14)18-12-4-2-1-3-11(12)17-7-6-16-10-17/h5-8,10-12H,1-4,9,15H2
InChIKeyUGMLXIYNODCFOZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.97
Rot. Bonds4

About [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine

[3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine (PubChem CID 82037337) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine
PubChem CID82037337
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine
SMILESNCc1sccc1OC1CCCCC1n1ccnc1
InChIInChI=1S/C14H19N3OS/c15-9-14-13(5-8-19-14)18-12-4-2-1-3-11(12)17-7-6-16-10-17/h5-8,10-12H,1-4,9,15H2
InChIKeyUGMLXIYNODCFOZ-UHFFFAOYSA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine 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 [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine?
The IUPAC name of [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine (CID 82037337) is [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine.
What is the SMILES notation for [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine?
The canonical SMILES for [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine is NCc1sccc1OC1CCCCC1n1ccnc1.
What is the InChIKey of [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine?
The InChIKey is UGMLXIYNODCFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-9-14-13(5-8-19-14)18-12-4-2-1-3-11(12)17-7-6-16-10-17/h5-8,10-12H,1-4,9,15H2.
What are the key properties of [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine?
[3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine has a molecular weight of 277.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-imidazol-1-ylcyclohexyl)oxythiophen-2-yl]methanamine is sourced from PubChem (CID 82037337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).