4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine

C16H11N3S — CID 12782582

IUPAC4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
SMILES[H]/N=c1/cc(-c2ccccc2)n2c(nc3ccccc32)s1
InChIInChI=1S/C16H11N3S/c17-15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-16(19)20-15/h1-10,17H/b17-15-
InChIKeyYFAFKXNKHOYWTP-ICFOKQHNSA-N
MW277.35 g/mol
LogP3.70
Rot. Bonds1

About 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine

4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine (PubChem CID 12782582) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine.

Molecular Properties

Compound Name4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
PubChem CID12782582
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
SMILES[H]/N=c1/cc(-c2ccccc2)n2c(nc3ccccc32)s1
InChIInChI=1S/C16H11N3S/c17-15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-16(19)20-15/h1-10,17H/b17-15-
InChIKeyYFAFKXNKHOYWTP-ICFOKQHNSA-N
XLogP3.70
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine 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 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine?
The IUPAC name of 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine (CID 12782582) is 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine.
What is the SMILES notation for 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine?
The canonical SMILES for 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine is [H]/N=c1/cc(-c2ccccc2)n2c(nc3ccccc32)s1.
What is the InChIKey of 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine?
The InChIKey is YFAFKXNKHOYWTP-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H11N3S/c17-15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-16(19)20-15/h1-10,17H/b17-15-.
What are the key properties of 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine?
4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine has a molecular weight of 277.35 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine is sourced from PubChem (CID 12782582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).