4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one

C17H15NOS — CID 10978890

IUPAC4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
SMILESCC12CSC1(c1ccccc1)N(c1ccccc1)C2=O
InChIInChI=1S/C17H15NOS/c1-16-12-20-17(16,13-8-4-2-5-9-13)18(15(16)19)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyVIBHTRKDWYXLIX-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.64
Rot. Bonds2

About 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one

4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one (PubChem CID 10978890) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one.

Molecular Properties

Compound Name4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
PubChem CID10978890
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
SMILESCC12CSC1(c1ccccc1)N(c1ccccc1)C2=O
InChIInChI=1S/C17H15NOS/c1-16-12-20-17(16,13-8-4-2-5-9-13)18(15(16)19)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyVIBHTRKDWYXLIX-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-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 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The IUPAC name of 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one (CID 10978890) is 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one.
What is the SMILES notation for 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The canonical SMILES for 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one is CC12CSC1(c1ccccc1)N(c1ccccc1)C2=O.
What is the InChIKey of 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The InChIKey is VIBHTRKDWYXLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-16-12-20-17(16,13-8-4-2-5-9-13)18(15(16)19)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one has a molecular weight of 281.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one is sourced from PubChem (CID 10978890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).