3,5-diphenyl-1,2,4,6-thiatriazinane

C14H15N3S — CID 162273970

IUPAC3,5-diphenyl-1,2,4,6-thiatriazinane
SMILESc1ccc(C2NSNC(c3ccccc3)N2)cc1
InChIInChI=1S/C14H15N3S/c1-3-7-11(8-4-1)13-15-14(17-18-16-13)12-9-5-2-6-10-12/h1-10,13-17H
InChIKeyOUEDEIYUTWMGSG-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.73
Rot. Bonds2

About 3,5-diphenyl-1,2,4,6-thiatriazinane

3,5-diphenyl-1,2,4,6-thiatriazinane (PubChem CID 162273970) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3,5-diphenyl-1,2,4,6-thiatriazinane.

Molecular Properties

Compound Name3,5-diphenyl-1,2,4,6-thiatriazinane
PubChem CID162273970
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name3,5-diphenyl-1,2,4,6-thiatriazinane
SMILESc1ccc(C2NSNC(c3ccccc3)N2)cc1
InChIInChI=1S/C14H15N3S/c1-3-7-11(8-4-1)13-15-14(17-18-16-13)12-9-5-2-6-10-12/h1-10,13-17H
InChIKeyOUEDEIYUTWMGSG-UHFFFAOYSA-N
XLogP2.73
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-diphenyl-1,2,4,6-thiatriazinane 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 3,5-diphenyl-1,2,4,6-thiatriazinane?
The IUPAC name of 3,5-diphenyl-1,2,4,6-thiatriazinane (CID 162273970) is 3,5-diphenyl-1,2,4,6-thiatriazinane.
What is the SMILES notation for 3,5-diphenyl-1,2,4,6-thiatriazinane?
The canonical SMILES for 3,5-diphenyl-1,2,4,6-thiatriazinane is c1ccc(C2NSNC(c3ccccc3)N2)cc1.
What is the InChIKey of 3,5-diphenyl-1,2,4,6-thiatriazinane?
The InChIKey is OUEDEIYUTWMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-3-7-11(8-4-1)13-15-14(17-18-16-13)12-9-5-2-6-10-12/h1-10,13-17H.
What are the key properties of 3,5-diphenyl-1,2,4,6-thiatriazinane?
3,5-diphenyl-1,2,4,6-thiatriazinane has a molecular weight of 257.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1,2,4,6-thiatriazinane is sourced from PubChem (CID 162273970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).