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

C13H18F3NOS — CID 105106713

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCc1nc(CC(O)C2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C13H18F3NOS/c1-8-17-11(7-19-8)6-12(18)9-3-2-4-10(5-9)13(14,15)16/h7,9-10,12,18H,2-6H2,1H3
InChIKeyPNFORJPVSXAPGQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.72
Rot. Bonds3

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

2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105106713) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105106713
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCc1nc(CC(O)C2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C13H18F3NOS/c1-8-17-11(7-19-8)6-12(18)9-3-2-4-10(5-9)13(14,15)16/h7,9-10,12,18H,2-6H2,1H3
InChIKeyPNFORJPVSXAPGQ-UHFFFAOYSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (CID 105106713) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is Cc1nc(CC(O)C2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is PNFORJPVSXAPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-8-17-11(7-19-8)6-12(18)9-3-2-4-10(5-9)13(14,15)16/h7,9-10,12,18H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 293.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105106713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).