2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine

C17H30N2S — CID 107190144

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)C2CCCCC2(C)C)n1
InChIInChI=1S/C17H30N2S/c1-16(2,3)14-11-20-15(19-14)10-13(18)12-8-6-7-9-17(12,4)5/h11-13H,6-10,18H2,1-5H3
InChIKeyKZKMGHNKLFVGDP-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.53
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine (PubChem CID 107190144) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
PubChem CID107190144
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)C2CCCCC2(C)C)n1
InChIInChI=1S/C17H30N2S/c1-16(2,3)14-11-20-15(19-14)10-13(18)12-8-6-7-9-17(12,4)5/h11-13H,6-10,18H2,1-5H3
InChIKeyKZKMGHNKLFVGDP-UHFFFAOYSA-N
XLogP4.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine (CID 107190144) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine is CC(C)(C)c1csc(CC(N)C2CCCCC2(C)C)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The InChIKey is KZKMGHNKLFVGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-16(2,3)14-11-20-15(19-14)10-13(18)12-8-6-7-9-17(12,4)5/h11-13H,6-10,18H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine has a molecular weight of 294.51 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 107190144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).