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

C12H14F3NOS — CID 105126156

IUPAC2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1cncs1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)9-3-1-2-8(4-9)11(17)5-10-6-16-7-18-10/h6-9H,1-5H2
InChIKeyMHQMLRXAJMRCOD-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.62
Rot. Bonds3

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

2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 105126156) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID105126156
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1cncs1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)9-3-1-2-8(4-9)11(17)5-10-6-16-7-18-10/h6-9H,1-5H2
InChIKeyMHQMLRXAJMRCOD-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone (CID 105126156) is 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone is O=C(Cc1cncs1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is MHQMLRXAJMRCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c13-12(14,15)9-3-1-2-8(4-9)11(17)5-10-6-16-7-18-10/h6-9H,1-5H2.
What are the key properties of 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 277.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 105126156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).