3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine

C12H20N2S — CID 112642173

IUPAC3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCCC(N)(Cc2cncs2)C1
InChIInChI=1S/C12H20N2S/c1-2-10-4-3-5-12(13,6-10)7-11-8-14-9-15-11/h8-10H,2-7,13H2,1H3
InChIKeyOYHUEXOSWPUBIA-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.98
Rot. Bonds3

About 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine

3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 112642173) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID112642173
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCCC(N)(Cc2cncs2)C1
InChIInChI=1S/C12H20N2S/c1-2-10-4-3-5-12(13,6-10)7-11-8-14-9-15-11/h8-10H,2-7,13H2,1H3
InChIKeyOYHUEXOSWPUBIA-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine 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

4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
CID 112642190
[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
CID 112645149
1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
CID 112642126
2-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 112642174
1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine
CID 54557959
3-ethyl-1-(methoxymethyl)cyclohexan-1-amine
CID 126977495
3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103007094
3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65422470
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 116539384
1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 112642072
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430135

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine (CID 112642173) is 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine is CCC1CCCC(N)(Cc2cncs2)C1.
What is the InChIKey of 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is OYHUEXOSWPUBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-10-4-3-5-12(13,6-10)7-11-8-14-9-15-11/h8-10H,2-7,13H2,1H3.
What are the key properties of 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 112642173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).