2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol

C15H19F3N2OS — CID 150077839

IUPAC2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol
SMILESCC1CCCCC1CC(O)c1c(C(F)(F)F)sc2cncn12
InChIInChI=1S/C15H19F3N2OS/c1-9-4-2-3-5-10(9)6-11(21)13-14(15(16,17)18)22-12-7-19-8-20(12)13/h7-11,21H,2-6H2,1H3
InChIKeyDQQFVFCGBSLJTR-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.66
Rot. Bonds3

About 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol

2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol (PubChem CID 150077839) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol
PubChem CID150077839
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC Name2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol
SMILESCC1CCCCC1CC(O)c1c(C(F)(F)F)sc2cncn12
InChIInChI=1S/C15H19F3N2OS/c1-9-4-2-3-5-10(9)6-11(21)13-14(15(16,17)18)22-12-7-19-8-20(12)13/h7-11,21H,2-6H2,1H3
InChIKeyDQQFVFCGBSLJTR-UHFFFAOYSA-N
XLogP4.66
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol?
The IUPAC name of 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol (CID 150077839) is 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol.
What is the SMILES notation for 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol?
The canonical SMILES for 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol is CC1CCCCC1CC(O)c1c(C(F)(F)F)sc2cncn12.
What is the InChIKey of 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol?
The InChIKey is DQQFVFCGBSLJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c1-9-4-2-3-5-10(9)6-11(21)13-14(15(16,17)18)22-12-7-19-8-20(12)13/h7-11,21H,2-6H2,1H3.
What are the key properties of 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol?
2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol has a molecular weight of 332.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol is sourced from PubChem (CID 150077839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).