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

C16H13F3N4O2S — CID 123669092

IUPAC1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCNc1nnc(-c2ccc(-c3ccn(C)c(=O)c3)cc2OC(F)(F)F)s1
InChIInChI=1S/C16H13F3N4O2S/c1-20-15-22-21-14(26-15)11-4-3-9(7-12(11)25-16(17,18)19)10-5-6-23(2)13(24)8-10/h3-8H,1-2H3,(H,20,22)
InChIKeyIJWNPCRPJRAEMX-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.51
Rot. Bonds4

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

1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 123669092) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID123669092
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESCNc1nnc(-c2ccc(-c3ccn(C)c(=O)c3)cc2OC(F)(F)F)s1
InChIInChI=1S/C16H13F3N4O2S/c1-20-15-22-21-14(26-15)11-4-3-9(7-12(11)25-16(17,18)19)10-5-6-23(2)13(24)8-10/h3-8H,1-2H3,(H,20,22)
InChIKeyIJWNPCRPJRAEMX-UHFFFAOYSA-N
XLogP3.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one (CID 123669092) is 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one is CNc1nnc(-c2ccc(-c3ccn(C)c(=O)c3)cc2OC(F)(F)F)s1.
What is the InChIKey of 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is IJWNPCRPJRAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-20-15-22-21-14(26-15)11-4-3-9(7-12(11)25-16(17,18)19)10-5-6-23(2)13(24)8-10/h3-8H,1-2H3,(H,20,22).
What are the key properties of 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one?
1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 382.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-3-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 123669092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).