2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine

C12H20N2S — CID 60761087

IUPAC2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCCCC2C)n1
InChIInChI=1S/C12H20N2S/c1-9-5-3-4-6-11(9)13-7-12-14-10(2)8-15-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyJHCQKKYEUXEHFV-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.12
Rot. Bonds3

About 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine

2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 60761087) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID60761087
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CNC2CCCCC2C)n1
InChIInChI=1S/C12H20N2S/c1-9-5-3-4-6-11(9)13-7-12-14-10(2)8-15-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyJHCQKKYEUXEHFV-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
N-(2-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 24981071
(1S,2R,3R,5R)-2,6,6-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 145957974
N-((2-methylthiazol-4-yl)methyl)adamantan-1-amine
CID 28780792
4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
3-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 24261803
4-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261827
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721252
3-(2-Cyclohexylethyl)-2,4-dimethyl-1,3-thiazol-3-ium
CID 411006
3-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261805
3-(4-(Propan-2-yl)-1,3-thiazol-2-yl)piperidine
CID 24261806
Cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine
CID 46785177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 60761087) is 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is Cc1csc(CNC2CCCCC2C)n1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is JHCQKKYEUXEHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-5-3-4-6-11(9)13-7-12-14-10(2)8-15-12/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60761087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).