4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C17H13N3O2S — CID 23994153

IUPAC4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)n2c(nc3ccccc32)S1
InChIInChI=1S/C17H13N3O2S/c21-15-10-14(16(22)18-11-6-2-1-3-7-11)23-17-19-12-8-4-5-9-13(12)20(15)17/h1-9,14H,10H2,(H,18,22)
InChIKeyZXJLQXIDJSNISO-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.18
Rot. Bonds2

About 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 23994153) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID23994153
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)n2c(nc3ccccc32)S1
InChIInChI=1S/C17H13N3O2S/c21-15-10-14(16(22)18-11-6-2-1-3-7-11)23-17-19-12-8-4-5-9-13(12)20(15)17/h1-9,14H,10H2,(H,18,22)
InChIKeyZXJLQXIDJSNISO-UHFFFAOYSA-N
XLogP3.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide 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-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 23994153) is 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is O=C(Nc1ccccc1)C1CC(=O)n2c(nc3ccccc32)S1.
What is the InChIKey of 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is ZXJLQXIDJSNISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-15-10-14(16(22)18-11-6-2-1-3-7-11)23-17-19-12-8-4-5-9-13(12)20(15)17/h1-9,14H,10H2,(H,18,22).
What are the key properties of 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 23994153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).