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

C17H28F2N2OS — CID 155347376

IUPAC2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine
SMILESCCc1nc(OCC(F)F)sc1CCNCCC1CCCCC1
InChIInChI=1S/C17H28F2N2OS/c1-2-14-15(23-17(21-14)22-12-16(18)19)9-11-20-10-8-13-6-4-3-5-7-13/h13,16,20H,2-12H2,1H3
InChIKeyIJSYTJIHHUFXQN-UHFFFAOYSA-N
MW346.49 g/mol
LogP4.45
Rot. Bonds10

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

2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine (PubChem CID 155347376) 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)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine
PubChem CID155347376
Molecular FormulaC17H28F2N2OS
Molecular Weight346.49 g/mol
Exact Mass346.19
IUPAC Name2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine
SMILESCCc1nc(OCC(F)F)sc1CCNCCC1CCCCC1
InChIInChI=1S/C17H28F2N2OS/c1-2-14-15(23-17(21-14)22-12-16(18)19)9-11-20-10-8-13-6-4-3-5-7-13/h13,16,20H,2-12H2,1H3
InChIKeyIJSYTJIHHUFXQN-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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Related Compounds

2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine
CID 170238945
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 12017335
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride
CID 22723059
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
CID 83961945
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(2-cyclohexylethyl)butan-1-amine;hydrochloride
CID 57440786
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
N-[(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428249
N-(cyclopentylmethyl)-2-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115907917
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112
N-(2-cyclohexylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169326

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine?
The IUPAC name of 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine (CID 155347376) is 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine?
The canonical SMILES for 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine is CCc1nc(OCC(F)F)sc1CCNCCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine?
The InChIKey is IJSYTJIHHUFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2OS/c1-2-14-15(23-17(21-14)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)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine?
2-cyclohexyl-N-[2-[2-(2,2-difluoroethoxy)-4-ethyl-1,3-thiazol-5-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)-4-ethyl-1,3-thiazol-5-yl]ethyl]ethanamine is sourced from PubChem (CID 155347376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).