(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

C24H15ClN2OS — CID 7241004

IUPAC(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1/c(=C\c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C24H15ClN2OS/c25-19-13-11-16(12-14-19)15-20-23(28)27-22(18-9-5-2-6-10-18)21(26-24(27)29-20)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKeyQNAKEJQPOJTLMM-HMMYKYKNSA-N
MW414.92 g/mol
LogP5.29
Rot. Bonds3

About (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 7241004) has the molecular formula C24H15ClN2OS and a molecular weight of 414.92 g/mol. Its IUPAC name is (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID7241004
Molecular FormulaC24H15ClN2OS
Molecular Weight414.92 g/mol
Exact Mass414.06
IUPAC Name(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1/c(=C\c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C24H15ClN2OS/c25-19-13-11-16(12-14-19)15-20-23(28)27-22(18-9-5-2-6-10-18)21(26-24(27)29-20)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKeyQNAKEJQPOJTLMM-HMMYKYKNSA-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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (CID 7241004) is (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is O=c1/c(=C\c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12.
What is the InChIKey of (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is QNAKEJQPOJTLMM-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H15ClN2OS/c25-19-13-11-16(12-14-19)15-20-23(28)27-22(18-9-5-2-6-10-18)21(26-24(27)29-20)17-7-3-1-4-8-17/h1-15H/b20-15+.
What are the key properties of (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
(2E)-2-[(4-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 (2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 7241004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).