2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

C24H15ClN2OS — CID 2869267

IUPAC2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1c(=Cc2cccc(Cl)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C24H15ClN2OS/c25-19-13-7-8-16(14-19)15-20-23(28)27-22(18-11-5-2-6-12-18)21(26-24(27)29-20)17-9-3-1-4-10-17/h1-15H
InChIKeyRZIHJMPESXMKQY-UHFFFAOYSA-N
MW414.92 g/mol
LogP5.29
Rot. Bonds3

About 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 2869267) has the molecular formula C24H15ClN2OS and a molecular weight of 414.92 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID2869267
Molecular FormulaC24H15ClN2OS
Molecular Weight414.92 g/mol
Exact Mass414.06
IUPAC Name2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1c(=Cc2cccc(Cl)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C24H15ClN2OS/c25-19-13-7-8-16(14-19)15-20-23(28)27-22(18-11-5-2-6-12-18)21(26-24(27)29-20)17-9-3-1-4-10-17/h1-15H
InChIKeyRZIHJMPESXMKQY-UHFFFAOYSA-N
XLogP5.29
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.92
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 7241004
5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
CID 2817083
2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 4201247
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 3943040
(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 5293676
(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6049577
2-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3721538
(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6010358
6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4264083
(6E)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6371569
5-[(3-chlorophenyl)methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3741347
(5E)-2-(3-chlorophenyl)-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2142893

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (CID 2869267) is 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is O=c1c(=Cc2cccc(Cl)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12.
What is the InChIKey of 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is RZIHJMPESXMKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2OS/c25-19-13-7-8-16(14-19)15-20-23(28)27-22(18-11-5-2-6-12-18)21(26-24(27)29-20)17-9-3-1-4-10-17/h1-15H.
What are the key properties of 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 414.92 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 2869267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).