cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C11H12F3NOS — CID 106782437

IUPACcyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCCCC1
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)10-15-6-8(17-10)9(16)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyKXKSJMGAXKOZJT-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.92
Rot. Bonds2

About cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782437) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782437
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Namecyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCCCC1
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)10-15-6-8(17-10)9(16)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyKXKSJMGAXKOZJT-UHFFFAOYSA-N
XLogP3.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopentan-1-one
CID 106784117
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 129269984
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 137444337
2,2,2-Trifluoro-1-[2-[4-(2-methylbut-3-enyl)cyclooctyl]-1,3-thiazol-5-yl]ethanone
CID 163453156
(2-Methyl-1,3-thiazol-5-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 165405000
2-Cyclobutyl-3-oxo-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanenitrile
CID 169169382
2-Cyclobutyl-2-isocyano-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 176762819
4,4-Dimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pentan-1-one
CID 135058218
2,3,3-Trimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-one
CID 135075591
4,4,4-Trifluoro-1-(1,3-thiazol-5-yl)butan-1-one
CID 80477340
2-(1,3-Thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105126156

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782437) is cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is KXKSJMGAXKOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c12-11(13,14)10-15-6-8(17-10)9(16)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 263.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).