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

C16H12N2OS — CID 2891810

IUPAC2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESO=C1CC(c2ccccc2)Sc2nc3ccccc3n21
InChIInChI=1S/C16H12N2OS/c19-15-10-14(11-6-2-1-3-7-11)20-16-17-12-8-4-5-9-13(12)18(15)16/h1-9,14H,10H2
InChIKeyGXFUOCQAEIOYDU-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.91
Rot. Bonds1

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

2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (PubChem CID 2891810) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
PubChem CID2891810
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESO=C1CC(c2ccccc2)Sc2nc3ccccc3n21
InChIInChI=1S/C16H12N2OS/c19-15-10-14(11-6-2-1-3-7-11)20-16-17-12-8-4-5-9-13(12)18(15)16/h1-9,14H,10H2
InChIKeyGXFUOCQAEIOYDU-UHFFFAOYSA-N
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The IUPAC name of 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (CID 2891810) is 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The canonical SMILES for 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is O=C1CC(c2ccccc2)Sc2nc3ccccc3n21.
What is the InChIKey of 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The InChIKey is GXFUOCQAEIOYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-15-10-14(11-6-2-1-3-7-11)20-16-17-12-8-4-5-9-13(12)18(15)16/h1-9,14H,10H2.
What are the key properties of 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one has a molecular weight of 280.35 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is sourced from PubChem (CID 2891810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).