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

C6H4F3NOS — CID 59705103

IUPAC1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1ncsc1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c1-3(11)4-5(6(7,8)9)12-2-10-4/h2H,1H3
InChIKeyGJYWWTWWXKCWNT-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.36
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 59705103) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID59705103
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1ncsc1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c1-3(11)4-5(6(7,8)9)12-2-10-4/h2H,1H3
InChIKeyGJYWWTWWXKCWNT-UHFFFAOYSA-N
XLogP2.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (CID 59705103) is 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1ncsc1C(F)(F)F.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is GJYWWTWWXKCWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c1-3(11)4-5(6(7,8)9)12-2-10-4/h2H,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 195.16 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 59705103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).