2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one

C17H11N3OS — CID 11109513

IUPAC2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one
SMILESO=c1sc(-c2ccccc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C17H11N3OS/c21-17-20-15(11-14(19-20)12-7-3-1-4-8-12)18-16(22-17)13-9-5-2-6-10-13/h1-11H
InChIKeyQTCFTVGKPKHYJF-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.48
Rot. Bonds2

About 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one

2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one (PubChem CID 11109513) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one.

Molecular Properties

Compound Name2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one
PubChem CID11109513
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one
SMILESO=c1sc(-c2ccccc2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C17H11N3OS/c21-17-20-15(11-14(19-20)12-7-3-1-4-8-12)18-16(22-17)13-9-5-2-6-10-13/h1-11H
InChIKeyQTCFTVGKPKHYJF-UHFFFAOYSA-N
XLogP3.48
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-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 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one?
The IUPAC name of 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one (CID 11109513) is 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one.
What is the SMILES notation for 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one?
The canonical SMILES for 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one is O=c1sc(-c2ccccc2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one?
The InChIKey is QTCFTVGKPKHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-17-20-15(11-14(19-20)12-7-3-1-4-8-12)18-16(22-17)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one?
2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one has a molecular weight of 305.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenylpyrazolo[1,5-c][1,3,5]thiadiazin-4-one is sourced from PubChem (CID 11109513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).