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

C14H17F3N2OS — CID 137499694

IUPAC2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol
SMILESOC(CC1CCCCC1)c1c(C(F)(F)F)sc2cncn12
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)13-12(19-8-18-7-11(19)21-13)10(20)6-9-4-2-1-3-5-9/h7-10,20H,1-6H2
InChIKeyTYWCGZHSSWMUCD-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.42
Rot. Bonds3

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

2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol (PubChem CID 137499694) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol
PubChem CID137499694
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol
SMILESOC(CC1CCCCC1)c1c(C(F)(F)F)sc2cncn12
InChIInChI=1S/C14H17F3N2OS/c15-14(16,17)13-12(19-8-18-7-11(19)21-13)10(20)6-9-4-2-1-3-5-9/h7-10,20H,1-6H2
InChIKeyTYWCGZHSSWMUCD-UHFFFAOYSA-N
XLogP4.42
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11267824, Example 21
CID 137499559
US11267824, Example 42
CID 137499645
US11267824, Example 63
CID 137500094
US11267824, Example 116
CID 137500138
US11267824, Example 137
CID 137500149
US11267824, Example 115
CID 137500154
US11267824, Example 119
CID 137500167
US11267824, Example 108
CID 137500177
US11267824, Example 155
CID 137500250
US11267824, Example 187
CID 149681008
US11267824, Example 186
CID 149681009
US11267824, Example 102
CID 149689411

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol?
The IUPAC name of 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol (CID 137499694) is 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol.
What is the SMILES notation for 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol?
The canonical SMILES for 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol is OC(CC1CCCCC1)c1c(C(F)(F)F)sc2cncn12.
What is the InChIKey of 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol?
The InChIKey is TYWCGZHSSWMUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c15-14(16,17)13-12(19-8-18-7-11(19)21-13)10(20)6-9-4-2-1-3-5-9/h7-10,20H,1-6H2.
What are the key properties of 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol?
2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol has a molecular weight of 318.36 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-3-yl]ethanol is sourced from PubChem (CID 137499694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).