(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol

C15H19F3N2OS — CID 150474482

IUPAC(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol
SMILESCC1(C)CCC(C(O)c2c(C(F)(F)F)sc3cncn23)CC1
InChIInChI=1S/C15H19F3N2OS/c1-14(2)5-3-9(4-6-14)12(21)11-13(15(16,17)18)22-10-7-19-8-20(10)11/h7-9,12,21H,3-6H2,1-2H3
InChIKeyHSMPQCVTZHTHAW-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.66
Rot. Bonds2

About (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol

(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol (PubChem CID 150474482) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol
PubChem CID150474482
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC Name(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol
SMILESCC1(C)CCC(C(O)c2c(C(F)(F)F)sc3cncn23)CC1
InChIInChI=1S/C15H19F3N2OS/c1-14(2)5-3-9(4-6-14)12(21)11-13(15(16,17)18)22-10-7-19-8-20(10)11/h7-9,12,21H,3-6H2,1-2H3
InChIKeyHSMPQCVTZHTHAW-UHFFFAOYSA-N
XLogP4.66
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol?
The IUPAC name of (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol (CID 150474482) is (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol?
The canonical SMILES for (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol is CC1(C)CCC(C(O)c2c(C(F)(F)F)sc3cncn23)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol?
The InChIKey is HSMPQCVTZHTHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c1-14(2)5-3-9(4-6-14)12(21)11-13(15(16,17)18)22-10-7-19-8-20(10)11/h7-9,12,21H,3-6H2,1-2H3.
What are the key properties of (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol?
(4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol has a molecular weight of 332.39 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]methanol is sourced from PubChem (CID 150474482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).