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

C17H28N2S — CID 60961514

IUPAC2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C2CCCCC2)cs1
InChIInChI=1S/C17H28N2S/c1-13-19-15(12-20-13)11-18-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h12,14,16-18H,2-11H2,1H3
InChIKeyCIEHZKYDZWRVEC-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.68
Rot. Bonds4

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

2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 60961514) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID60961514
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
SMILESCc1nc(CNC2CCCCC2C2CCCCC2)cs1
InChIInChI=1S/C17H28N2S/c1-13-19-15(12-20-13)11-18-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h12,14,16-18H,2-11H2,1H3
InChIKeyCIEHZKYDZWRVEC-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 103701163
2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 63830392
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 124739593
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128972573
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 61015493

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine (CID 60961514) is 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is Cc1nc(CNC2CCCCC2C2CCCCC2)cs1.
What is the InChIKey of 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is CIEHZKYDZWRVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13-19-15(12-20-13)11-18-17-10-6-5-9-16(17)14-7-3-2-4-8-14/h12,14,16-18H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine?
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60961514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).