2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine

C17H27F3N2OS — CID 155347357

IUPAC2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine
SMILESCCc1sc(OCC(F)(F)F)nc1CCNCCC1CCCCC1
InChIInChI=1S/C17H27F3N2OS/c1-2-15-14(22-16(24-15)23-12-17(18,19)20)9-11-21-10-8-13-6-4-3-5-7-13/h13,21H,2-12H2,1H3
InChIKeyWZUSQYCORKTJJT-UHFFFAOYSA-N
MW364.48 g/mol
LogP4.75
Rot. Bonds9

About 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine

2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine (PubChem CID 155347357) has the molecular formula C17H27F3N2OS and a molecular weight of 364.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine
PubChem CID155347357
Molecular FormulaC17H27F3N2OS
Molecular Weight364.48 g/mol
Exact Mass364.18
IUPAC Name2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine
SMILESCCc1sc(OCC(F)(F)F)nc1CCNCCC1CCCCC1
InChIInChI=1S/C17H27F3N2OS/c1-2-15-14(22-16(24-15)23-12-17(18,19)20)9-11-21-10-8-13-6-4-3-5-7-13/h13,21H,2-12H2,1H3
InChIKeyWZUSQYCORKTJJT-UHFFFAOYSA-N
XLogP4.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine (CID 155347357) is 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine is CCc1sc(OCC(F)(F)F)nc1CCNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine?
The InChIKey is WZUSQYCORKTJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2OS/c1-2-15-14(22-16(24-15)23-12-17(18,19)20)9-11-21-10-8-13-6-4-3-5-7-13/h13,21H,2-12H2,1H3.
What are the key properties of 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine?
2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine has a molecular weight of 364.48 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[5-ethyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-4-yl]ethyl]ethanamine is sourced from PubChem (CID 155347357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).