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

C18H16N2O2S — CID 2906323

IUPAC8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESCCOc1ccc2c(c1)nc1n2C(=O)C(c2ccccc2)CS1
InChIInChI=1S/C18H16N2O2S/c1-2-22-13-8-9-16-15(10-13)19-18-20(16)17(21)14(11-23-18)12-6-4-3-5-7-12/h3-10,14H,2,11H2,1H3
InChIKeyAGIWVJPIYDKWOA-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.96
Rot. Bonds3

About 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one

8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (PubChem CID 2906323) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
PubChem CID2906323
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESCCOc1ccc2c(c1)nc1n2C(=O)C(c2ccccc2)CS1
InChIInChI=1S/C18H16N2O2S/c1-2-22-13-8-9-16-15(10-13)19-18-20(16)17(21)14(11-23-18)12-6-4-3-5-7-12/h3-10,14H,2,11H2,1H3
InChIKeyAGIWVJPIYDKWOA-UHFFFAOYSA-N
XLogP3.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The IUPAC name of 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (CID 2906323) is 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.
What is the SMILES notation for 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The canonical SMILES for 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is CCOc1ccc2c(c1)nc1n2C(=O)C(c2ccccc2)CS1.
What is the InChIKey of 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The InChIKey is AGIWVJPIYDKWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-22-13-8-9-16-15(10-13)19-18-20(16)17(21)14(11-23-18)12-6-4-3-5-7-12/h3-10,14H,2,11H2,1H3.
What are the key properties of 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is sourced from PubChem (CID 2906323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).