N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine

C16H28N2S — CID 79032529

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCc2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C16H28N2S/c1-5-12-7-6-8-13(9-12)17-10-15-18-14(11-19-15)16(2,3)4/h11-13,17H,5-10H2,1-4H3
InChIKeyGZPPMNXSSNXTEK-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.50
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 79032529) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID79032529
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCc2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C16H28N2S/c1-5-12-7-6-8-13(9-12)17-10-15-18-14(11-19-15)16(2,3)4/h11-13,17H,5-10H2,1-4H3
InChIKeyGZPPMNXSSNXTEK-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine (CID 79032529) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(NCc2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is GZPPMNXSSNXTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-12-7-6-8-13(9-12)17-10-15-18-14(11-19-15)16(2,3)4/h11-13,17H,5-10H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 79032529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).