2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine

C16H26N2S — CID 63830392

IUPAC2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
SMILESc1nc(CNC2CCCCC2C2CCCCC2)cs1
InChIInChI=1S/C16H26N2S/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-10-14-11-19-12-18-14/h11-13,15-17H,1-10H2
InChIKeyKZBSPDRNADOSHH-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.37
Rot. Bonds4

About 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine

2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 63830392) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID63830392
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
SMILESc1nc(CNC2CCCCC2C2CCCCC2)cs1
InChIInChI=1S/C16H26N2S/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-10-14-11-19-12-18-14/h11-13,15-17H,1-10H2
InChIKeyKZBSPDRNADOSHH-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281
4-[[(2-cyclohexylcyclohexyl)amino]methyl]phenol
CID 114331396
N-(1,3-thiazol-4-ylmethyl)thiolan-3-amine
CID 63830032
N-(1,3-thiazol-4-ylmethyl)-1,4-dithiepan-6-amine
CID 122557869
4-ethyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 65088346
(2S,3S)-2-(1-methylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128991372
3-(1,3-thiazol-4-ylmethylamino)azepan-2-one
CID 47350091
N-(pyridin-4-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 174900275
2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284102
8-methyl-N-(1,3-thiazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63831483

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine (CID 63830392) is 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine is c1nc(CNC2CCCCC2C2CCCCC2)cs1.
What is the InChIKey of 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is KZBSPDRNADOSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-10-14-11-19-12-18-14/h11-13,15-17H,1-10H2.
What are the key properties of 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 278.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 63830392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).