5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one

C23H15N3OS — CID 2817083

IUPAC5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1c(=Cc2cccnc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C23H15N3OS/c27-22-19(14-16-8-7-13-24-15-16)28-23-25-20(17-9-3-1-4-10-17)21(26(22)23)18-11-5-2-6-12-18/h1-15H
InChIKeyHSXWAMBEHDBSJD-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.03
Rot. Bonds3

About 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one

5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 2817083) has the molecular formula C23H15N3OS and a molecular weight of 381.46 g/mol. Its IUPAC name is 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID2817083
Molecular FormulaC23H15N3OS
Molecular Weight381.46 g/mol
Exact Mass381.09
IUPAC Name5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1c(=Cc2cccnc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C23H15N3OS/c27-22-19(14-16-8-7-13-24-15-16)28-23-25-20(17-9-3-1-4-10-17)21(26(22)23)18-11-5-2-6-12-18/h1-15H
InChIKeyHSXWAMBEHDBSJD-UHFFFAOYSA-N
XLogP4.03
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one (CID 2817083) is 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one is O=c1c(=Cc2cccnc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12.
What is the InChIKey of 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is HSXWAMBEHDBSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3OS/c27-22-19(14-16-8-7-13-24-15-16)28-23-25-20(17-9-3-1-4-10-17)21(26(22)23)18-11-5-2-6-12-18/h1-15H.
What are the key properties of 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one?
5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 381.46 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-2-(pyridin-3-ylmethylidene)imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 2817083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).