1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine

C16H28N2S — CID 107449609

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C16H28N2S/c1-11(2)12-7-6-8-16(17,9-12)14-18-13(10-19-14)15(3,4)5/h10-12H,6-9,17H2,1-5H3
InChIKeyDERXDWDFQDBOAX-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.44
Rot. Bonds2

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449609) 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)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449609
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C16H28N2S/c1-11(2)12-7-6-8-16(17,9-12)14-18-13(10-19-14)15(3,4)5/h10-12H,6-9,17H2,1-5H3
InChIKeyDERXDWDFQDBOAX-UHFFFAOYSA-N
XLogP4.44
TPSA38.91 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 ≤ 54.44
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)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine (CID 107449609) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(N)(c2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is DERXDWDFQDBOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11(2)12-7-6-8-16(17,9-12)14-18-13(10-19-14)15(3,4)5/h10-12H,6-9,17H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.44, 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)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).