2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol

C12H16F3NOS — CID 105115363

IUPAC2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1nccs1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3NOS/c13-12(14,15)9-3-1-8(2-4-9)10(17)7-11-16-5-6-18-11/h5-6,8-10,17H,1-4,7H2
InChIKeyKJCAKPNPSJOBBU-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.42
Rot. Bonds3

About 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol

2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105115363) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105115363
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1nccs1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3NOS/c13-12(14,15)9-3-1-8(2-4-9)10(17)7-11-16-5-6-18-11/h5-6,8-10,17H,1-4,7H2
InChIKeyKJCAKPNPSJOBBU-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol (CID 105115363) is 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol is OC(Cc1nccs1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is KJCAKPNPSJOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c13-12(14,15)9-3-1-8(2-4-9)10(17)7-11-16-5-6-18-11/h5-6,8-10,17H,1-4,7H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 279.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105115363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).