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

C17H28F2N2OS — CID 155347379

IUPAC2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine
SMILESCCc1sc(OCC(F)F)nc1CCNCCC1CCCCC1
InChIInChI=1S/C17H28F2N2OS/c1-2-15-14(21-17(23-15)22-12-16(18)19)9-11-20-10-8-13-6-4-3-5-7-13/h13,16,20H,2-12H2,1H3
InChIKeyWQRCBRFINFVJRC-UHFFFAOYSA-N
MW346.49 g/mol
LogP4.45
Rot. Bonds10

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

2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine (PubChem CID 155347379) has the molecular formula C17H28F2N2OS and a molecular weight of 346.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine
PubChem CID155347379
Molecular FormulaC17H28F2N2OS
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Name2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine
SMILESCCc1sc(OCC(F)F)nc1CCNCCC1CCCCC1
InChIInChI=1S/C17H28F2N2OS/c1-2-15-14(21-17(23-15)22-12-16(18)19)9-11-20-10-8-13-6-4-3-5-7-13/h13,16,20H,2-12H2,1H3
InChIKeyWQRCBRFINFVJRC-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 54.45
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-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine (CID 155347379) is 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine is CCc1sc(OCC(F)F)nc1CCNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine?
The InChIKey is WQRCBRFINFVJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2OS/c1-2-15-14(21-17(23-15)22-12-16(18)19)9-11-20-10-8-13-6-4-3-5-7-13/h13,16,20H,2-12H2,1H3.
What are the key properties of 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine?
2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine has a molecular weight of 346.49 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-5-ethyl-1,3-thiazol-4-yl]ethyl]ethanamine is sourced from PubChem (CID 155347379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).