7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one

C25H20N2O2S — CID 3768096

IUPAC7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
SMILESCOc1ccccc1C1CC(=O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1
InChIInChI=1S/C25H20N2O2S/c1-29-20-15-9-8-14-19(20)21-16-22(28)27-24(18-12-6-3-7-13-18)23(26-25(27)30-21)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
InChIKeyHLXJXDJJXIMIAB-UHFFFAOYSA-N
MW412.51 g/mol
LogP6.10
Rot. Bonds4

About 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one

7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one (PubChem CID 3768096) has the molecular formula C25H20N2O2S and a molecular weight of 412.51 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
PubChem CID3768096
Molecular FormulaC25H20N2O2S
Molecular Weight412.51 g/mol
Exact Mass412.12
IUPAC Name7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
SMILESCOc1ccccc1C1CC(=O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1
InChIInChI=1S/C25H20N2O2S/c1-29-20-15-9-8-14-19(20)21-16-22(28)27-24(18-12-6-3-7-13-18)23(26-25(27)30-21)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
InChIKeyHLXJXDJJXIMIAB-UHFFFAOYSA-N
XLogP6.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The IUPAC name of 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one (CID 3768096) is 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one.
What is the SMILES notation for 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The canonical SMILES for 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one is COc1ccccc1C1CC(=O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1.
What is the InChIKey of 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The InChIKey is HLXJXDJJXIMIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2S/c1-29-20-15-9-8-14-19(20)21-16-22(28)27-24(18-12-6-3-7-13-18)23(26-25(27)30-21)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3.
What are the key properties of 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one has a molecular weight of 412.51 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one is sourced from PubChem (CID 3768096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).