2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one

C24H18N2OS — CID 3709812

IUPAC2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
SMILESO=C1CC(c2ccccc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21
InChIInChI=1S/C24H18N2OS/c27-21-16-20(17-10-4-1-5-11-17)28-24-25-22(18-12-6-2-7-13-18)23(26(21)24)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKeyCVKJROZNDJZXHN-UHFFFAOYSA-N
MW382.49 g/mol
LogP6.09
Rot. Bonds3

About 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one

2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one (PubChem CID 3709812) has the molecular formula C24H18N2OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one.

Molecular Properties

Compound Name2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
PubChem CID3709812
Molecular FormulaC24H18N2OS
Molecular Weight382.49 g/mol
Exact Mass382.11
IUPAC Name2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one
SMILESO=C1CC(c2ccccc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21
InChIInChI=1S/C24H18N2OS/c27-21-16-20(17-10-4-1-5-11-17)28-24-25-22(18-12-6-2-7-13-18)23(26(21)24)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKeyCVKJROZNDJZXHN-UHFFFAOYSA-N
XLogP6.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The IUPAC name of 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one (CID 3709812) is 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one.
What is the SMILES notation for 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The canonical SMILES for 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one is O=C1CC(c2ccccc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21.
What is the InChIKey of 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
The InChIKey is CVKJROZNDJZXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2OS/c27-21-16-20(17-10-4-1-5-11-17)28-24-25-22(18-12-6-2-7-13-18)23(26(21)24)19-14-8-3-9-15-19/h1-15,20H,16H2.
What are the key properties of 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one?
2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one has a molecular weight of 382.49 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-triphenyl-6,7-dihydroimidazo[2,1-b][1,3]thiazin-5-one is sourced from PubChem (CID 3709812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).