2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone

C13H16F3NOS — CID 105108745

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESCc1nc(CC(=O)C2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C13H16F3NOS/c1-8-17-11(7-19-8)6-12(18)9-3-2-4-10(5-9)13(14,15)16/h7,9-10H,2-6H2,1H3
InChIKeyLJVLBAIIKGJZKX-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.93
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 105108745) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID105108745
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESCc1nc(CC(=O)C2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C13H16F3NOS/c1-8-17-11(7-19-8)6-12(18)9-3-2-4-10(5-9)13(14,15)16/h7,9-10H,2-6H2,1H3
InChIKeyLJVLBAIIKGJZKX-UHFFFAOYSA-N
XLogP3.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hexyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]octan-1-one
CID 138627846
2-Propyl-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]nonan-1-one
CID 150419911
3-[2-(Trifluoromethyl)-1,3-thiazol-4-yl]cyclopentan-1-one
CID 153570879
[4-(Trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 166045434
2,4-Bis[2-(trifluoromethyl)-1,3-thiazol-4-yl]pentan-3-one
CID 176009187
5,5,5-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 64565724
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 65864164
2-(2-Methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105108748
1-(4,4-Difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108771
2-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105118367
2-(4-Methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105120649
1-(4,4-Difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 105120670

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone (CID 105108745) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone is Cc1nc(CC(=O)C2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is LJVLBAIIKGJZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-8-17-11(7-19-8)6-12(18)9-3-2-4-10(5-9)13(14,15)16/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 291.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 105108745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).