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

C14H9F3N4OS — CID 156517997

IUPAC4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nsc(Nc3cccc(C(F)(F)F)c3)n2)cc[nH]1
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)9-2-1-3-10(7-9)19-13-20-12(21-23-13)8-4-5-18-11(22)6-8/h1-7H,(H,18,22)(H,19,20,21)
InChIKeyRYJRTPZGSJRINA-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.66
Rot. Bonds3

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

4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 156517997) has the molecular formula C14H9F3N4OS and a molecular weight of 338.31 g/mol. Its IUPAC name is 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
PubChem CID156517997
Molecular FormulaC14H9F3N4OS
Molecular Weight338.31 g/mol
Exact Mass338.04
IUPAC Name4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nsc(Nc3cccc(C(F)(F)F)c3)n2)cc[nH]1
InChIInChI=1S/C14H9F3N4OS/c15-14(16,17)9-2-1-3-10(7-9)19-13-20-12(21-23-13)8-4-5-18-11(22)6-8/h1-7H,(H,18,22)(H,19,20,21)
InChIKeyRYJRTPZGSJRINA-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one (CID 156517997) is 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one is O=c1cc(-c2nsc(Nc3cccc(C(F)(F)F)c3)n2)cc[nH]1.
What is the InChIKey of 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is RYJRTPZGSJRINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4OS/c15-14(16,17)9-2-1-3-10(7-9)19-13-20-12(21-23-13)8-4-5-18-11(22)6-8/h1-7H,(H,18,22)(H,19,20,21).
What are the key properties of 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one?
4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 338.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(trifluoromethyl)anilino]-1,2,4-thiadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 156517997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).