(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine

C13H22N2S — CID 105155223

IUPAC(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCC1CCC(C(N)c2scnc2C)CC1
InChIInChI=1S/C13H22N2S/c1-3-10-4-6-11(7-5-10)12(14)13-9(2)15-8-16-13/h8,10-12H,3-7,14H2,1-2H3
InChIKeyPYJOSMCSFOBCCE-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.67
Rot. Bonds3

About (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine

(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 105155223) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID105155223
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCC1CCC(C(N)c2scnc2C)CC1
InChIInChI=1S/C13H22N2S/c1-3-10-4-6-11(7-5-10)12(14)13-9(2)15-8-16-13/h8,10-12H,3-7,14H2,1-2H3
InChIKeyPYJOSMCSFOBCCE-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-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 (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 105155223) is (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine is CCC1CCC(C(N)c2scnc2C)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is PYJOSMCSFOBCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-10-4-6-11(7-5-10)12(14)13-9(2)15-8-16-13/h8,10-12H,3-7,14H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 105155223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).