2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone

C14H15F3N2OS — CID 105123082

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1cn2ccsc2n1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)10-3-1-2-9(6-10)12(20)7-11-8-19-4-5-21-13(19)18-11/h4-5,8-10H,1-3,6-7H2
InChIKeyYUZMUEFKESVIOV-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.88
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 105123082) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID105123082
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1cn2ccsc2n1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)10-3-1-2-9(6-10)12(20)7-11-8-19-4-5-21-13(19)18-11/h4-5,8-10H,1-3,6-7H2
InChIKeyYUZMUEFKESVIOV-UHFFFAOYSA-N
XLogP3.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone (CID 105123082) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone is O=C(Cc1cn2ccsc2n1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is YUZMUEFKESVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c15-14(16,17)10-3-1-2-9(6-10)12(20)7-11-8-19-4-5-21-13(19)18-11/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 316.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 105123082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).