4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one

C10H6F3NOS — CID 170923760

IUPAC4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one
SMILESO=C1N=C(c2cccc(C(F)(F)F)c2)CS1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(15)14-8/h1-4H,5H2
InChIKeyWMFZOTIIVKHLLG-UHFFFAOYSA-N
MW245.22 g/mol
LogP3.36
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one

4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one (PubChem CID 170923760) has the molecular formula C10H6F3NOS and a molecular weight of 245.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one
PubChem CID170923760
Molecular FormulaC10H6F3NOS
Molecular Weight245.22 g/mol
Exact Mass245.01
IUPAC Name4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one
SMILESO=C1N=C(c2cccc(C(F)(F)F)c2)CS1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(15)14-8/h1-4H,5H2
InChIKeyWMFZOTIIVKHLLG-UHFFFAOYSA-N
XLogP3.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one (CID 170923760) is 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one is O=C1N=C(c2cccc(C(F)(F)F)c2)CS1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one?
The InChIKey is WMFZOTIIVKHLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(15)14-8/h1-4H,5H2.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one?
4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one has a molecular weight of 245.22 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]-5H-1,3-thiazol-2-one is sourced from PubChem (CID 170923760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).