1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone

C12H8F3NOS — CID 171096069

IUPAC1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
SMILESCC(=O)c1snc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C12H8F3NOS/c1-7(17)11-9(12(13,14)15)10(16-18-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyGFGBOGUXEJWZKO-UHFFFAOYSA-N
MW271.26 g/mol
LogP4.03
Rot. Bonds2

About 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone

1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone (PubChem CID 171096069) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
PubChem CID171096069
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone
SMILESCC(=O)c1snc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C12H8F3NOS/c1-7(17)11-9(12(13,14)15)10(16-18-11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyGFGBOGUXEJWZKO-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone?
The IUPAC name of 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone (CID 171096069) is 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone is CC(=O)c1snc(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone?
The InChIKey is GFGBOGUXEJWZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c1-7(17)11-9(12(13,14)15)10(16-18-11)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone?
1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone has a molecular weight of 271.26 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-4-(trifluoromethyl)-1,2-thiazol-5-yl]ethanone is sourced from PubChem (CID 171096069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).