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

C12H20N2S — CID 165498055

IUPAC4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(N)CC1Cc1cncs1
InChIInChI=1S/C12H20N2S/c1-2-9-3-4-11(13)5-10(9)6-12-7-14-8-15-12/h7-11H,2-6,13H2,1H3
InChIKeyBETOHOIFLJAFKN-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.84
Rot. Bonds3

About 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine

4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 165498055) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID165498055
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(N)CC1Cc1cncs1
InChIInChI=1S/C12H20N2S/c1-2-9-3-4-11(13)5-10(9)6-12-7-14-8-15-12/h7-11H,2-6,13H2,1H3
InChIKeyBETOHOIFLJAFKN-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-3-(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

2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
CID 112645527
5-[(2-chloro-5-propylcyclohexyl)methyl]-1,3-thiazole
CID 112643835
5-[(5-bromo-2-methylcyclohexyl)methyl]-1,3-thiazole
CID 165497474
N-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 112644654
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]ethanamine
CID 112645572
4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
CID 112643810
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563
5-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1,3-thiazole
CID 112643860
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
CID 112645590
N-ethyl-3-(1,3-thiazol-5-ylmethyl)oxan-4-amine
CID 106469378
2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 112641294

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine (CID 165498055) is 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine is CCC1CCC(N)CC1Cc1cncs1.
What is the InChIKey of 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is BETOHOIFLJAFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-9-3-4-11(13)5-10(9)6-12-7-14-8-15-12/h7-11H,2-6,13H2,1H3.
What are the key properties of 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 165498055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).