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

C10H6F3NOS — CID 46783289

IUPAC2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)7-3-1-6(2-4-7)9-14-8(15)5-16-9/h1-4H,5H2
InChIKeyHLLXSKCHGYHTKQ-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.73
Rot. Bonds1

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

2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one (PubChem CID 46783289) has the molecular formula C10H6F3NOS and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one
PubChem CID46783289
Molecular FormulaC10H6F3NOS
Molecular Weight245.22 g/mol
Exact Mass245.01
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one
SMILESO=C1CSC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)7-3-1-6(2-4-7)9-14-8(15)5-16-9/h1-4H,5H2
InChIKeyHLLXSKCHGYHTKQ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one (CID 46783289) is 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one is O=C1CSC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one?
The InChIKey is HLLXSKCHGYHTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/c11-10(12,13)7-3-1-6(2-4-7)9-14-8(15)5-16-9/h1-4H,5H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one?
2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one has a molecular weight of 245.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one is sourced from PubChem (CID 46783289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).