N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine

C13H22N2S — CID 103903502

IUPACN-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCC1(C)CCCCC1)c1cscn1
InChIInChI=1S/C13H22N2S/c1-11(12-8-16-10-15-12)14-9-13(2)6-4-3-5-7-13/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyREMQNSBESLKPKW-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.76
Rot. Bonds4

About N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine

N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 103903502) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID103903502
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCC1(C)CCCCC1)c1cscn1
InChIInChI=1S/C13H22N2S/c1-11(12-8-16-10-15-12)14-9-13(2)6-4-3-5-7-13/h8,10-11,14H,3-7,9H2,1-2H3
InChIKeyREMQNSBESLKPKW-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine 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 N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 103903502) is N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(NCC1(C)CCCCC1)c1cscn1.
What is the InChIKey of N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is REMQNSBESLKPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(12-8-16-10-15-12)14-9-13(2)6-4-3-5-7-13/h8,10-11,14H,3-7,9H2,1-2H3.
What are the key properties of N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 103903502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).