1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine

C16H28N2S — CID 64753474

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)C1
InChIInChI=1S/C16H28N2S/c1-11-7-12(2)9-16(8-11,17-6)14-18-13(10-19-14)15(3,4)5/h10-12,17H,7-9H2,1-6H3
InChIKeyZMRAJBOODBFFMI-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.31
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64753474) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64753474
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)C1
InChIInChI=1S/C16H28N2S/c1-11-7-12(2)9-16(8-11,17-6)14-18-13(10-19-14)15(3,4)5/h10-12,17H,7-9H2,1-6H3
InChIKeyZMRAJBOODBFFMI-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine (CID 64753474) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine is CNC1(c2nc(C(C)(C)C)cs2)CC(C)CC(C)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is ZMRAJBOODBFFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11-7-12(2)9-16(8-11,17-6)14-18-13(10-19-14)15(3,4)5/h10-12,17H,7-9H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64753474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).