7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one

C24H17FN2OS — CID 3727198

IUPAC7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21
InChIInChI=1S/C24H17FN2OS/c25-19-13-11-16(12-14-19)20-15-21(28)27-23(18-9-5-2-6-10-18)22(26-24(27)29-20)17-7-3-1-4-8-17/h1-14,20H,15H2
InChIKeyAWPURSNZKSCATR-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.23
Rot. Bonds3

About 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one

7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one (PubChem CID 3727198) has the molecular formula C24H17FN2OS and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
PubChem CID3727198
Molecular FormulaC24H17FN2OS
Molecular Weight400.48 g/mol
Exact Mass400.10
IUPAC Name7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
SMILESO=C1CC(c2ccc(F)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21
InChIInChI=1S/C24H17FN2OS/c25-19-13-11-16(12-14-19)20-15-21(28)27-23(18-9-5-2-6-10-18)22(26-24(27)29-20)17-7-3-1-4-8-17/h1-14,20H,15H2
InChIKeyAWPURSNZKSCATR-UHFFFAOYSA-N
XLogP6.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The IUPAC name of 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one (CID 3727198) is 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one.
What is the SMILES notation for 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The canonical SMILES for 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one is O=C1CC(c2ccc(F)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21.
What is the InChIKey of 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The InChIKey is AWPURSNZKSCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2OS/c25-19-13-11-16(12-14-19)20-15-21(28)27-23(18-9-5-2-6-10-18)22(26-24(27)29-20)17-7-3-1-4-8-17/h1-14,20H,15H2.
What are the key properties of 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one has a molecular weight of 400.48 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2,3-diphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one is sourced from PubChem (CID 3727198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).