7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C14H10F2N4O3S2 — CID 7519905

IUPAC7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1nnc2sc(SCC(=O)c3ccc(OC(F)F)cc3)nn2c1=O
InChIInChI=1S/C14H10F2N4O3S2/c1-7-11(22)20-13(18-17-7)25-14(19-20)24-6-10(21)8-2-4-9(5-3-8)23-12(15)16/h2-5,12H,6H2,1H3
InChIKeyBVAGYAKZPSEYRG-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.43
Rot. Bonds6

About 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 7519905) has the molecular formula C14H10F2N4O3S2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID7519905
Molecular FormulaC14H10F2N4O3S2
Molecular Weight384.39 g/mol
Exact Mass384.02
IUPAC Name7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCc1nnc2sc(SCC(=O)c3ccc(OC(F)F)cc3)nn2c1=O
InChIInChI=1S/C14H10F2N4O3S2/c1-7-11(22)20-13(18-17-7)25-14(19-20)24-6-10(21)8-2-4-9(5-3-8)23-12(15)16/h2-5,12H,6H2,1H3
InChIKeyBVAGYAKZPSEYRG-UHFFFAOYSA-N
XLogP2.43
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-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 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 7519905) is 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is Cc1nnc2sc(SCC(=O)c3ccc(OC(F)F)cc3)nn2c1=O.
What is the InChIKey of 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is BVAGYAKZPSEYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O3S2/c1-7-11(22)20-13(18-17-7)25-14(19-20)24-6-10(21)8-2-4-9(5-3-8)23-12(15)16/h2-5,12H,6H2,1H3.
What are the key properties of 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 384.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 7519905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).