N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C13H22N2S — CID 62403369

IUPACN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(C2CCCCC2)nc1C
InChIInChI=1S/C13H22N2S/c1-3-14-9-12-10(2)15-13(16-12)11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3
InChIKeyRDOOOASWQSJTRY-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 62403369) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID62403369
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCCNCc1sc(C2CCCCC2)nc1C
InChIInChI=1S/C13H22N2S/c1-3-14-9-12-10(2)15-13(16-12)11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3
InChIKeyRDOOOASWQSJTRY-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine 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

N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114362515
(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
CID 116886443
N-[[2-(4-tert-butylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65415241
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572
2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62404624
N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745997
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65391068
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 62403369) is N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is CCNCc1sc(C2CCCCC2)nc1C.
What is the InChIKey of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is RDOOOASWQSJTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-14-9-12-10(2)15-13(16-12)11-7-5-4-6-8-11/h11,14H,3-9H2,1-2H3.
What are the key properties of N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 62403369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).