4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one

C15H10F3N3OS — CID 159038267

IUPAC4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nsc(Cc3cccc(C(F)(F)F)c3)n2)cc[nH]1
InChIInChI=1S/C15H10F3N3OS/c16-15(17,18)11-3-1-2-9(6-11)7-13-20-14(21-23-13)10-4-5-19-12(22)8-10/h1-6,8H,7H2,(H,19,22)
InChIKeyWQAFUXGDZIJQPS-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.50
Rot. Bonds3

About 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one

4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 159038267) has the molecular formula C15H10F3N3OS and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
PubChem CID159038267
Molecular FormulaC15H10F3N3OS
Molecular Weight337.33 g/mol
Exact Mass337.05
IUPAC Name4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nsc(Cc3cccc(C(F)(F)F)c3)n2)cc[nH]1
InChIInChI=1S/C15H10F3N3OS/c16-15(17,18)11-3-1-2-9(6-11)7-13-20-14(21-23-13)10-4-5-19-12(22)8-10/h1-6,8H,7H2,(H,19,22)
InChIKeyWQAFUXGDZIJQPS-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
CID 156517997
4-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 157478881
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 87237269
3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazol-4-yl]benzoic acid
CID 68549695
5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide
CID 157277638
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061814
1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115089163
4-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole
CID 67188787
6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-quinazolin-4-one
CID 135909907
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one (CID 159038267) is 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one is O=c1cc(-c2nsc(Cc3cccc(C(F)(F)F)c3)n2)cc[nH]1.
What is the InChIKey of 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is WQAFUXGDZIJQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3OS/c16-15(17,18)11-3-1-2-9(6-11)7-13-20-14(21-23-13)10-4-5-19-12(22)8-10/h1-6,8H,7H2,(H,19,22).
What are the key properties of 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one?
4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 337.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 159038267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).