2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

C26H18N2OS — CID 4201247

IUPAC2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1c(=CC=Cc2ccccc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C26H18N2OS/c29-25-22(18-10-13-19-11-4-1-5-12-19)30-26-27-23(20-14-6-2-7-15-20)24(28(25)26)21-16-8-3-9-17-21/h1-18H
InChIKeyFBEXTNHMPLDAPP-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.30
Rot. Bonds4

About 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 4201247) has the molecular formula C26H18N2OS and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID4201247
Molecular FormulaC26H18N2OS
Molecular Weight406.51 g/mol
Exact Mass406.11
IUPAC Name2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1c(=CC=Cc2ccccc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C26H18N2OS/c29-25-22(18-10-13-19-11-4-1-5-12-19)30-26-27-23(20-14-6-2-7-15-20)24(28(25)26)21-16-8-3-9-17-21/h1-18H
InChIKeyFBEXTNHMPLDAPP-UHFFFAOYSA-N
XLogP5.30
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (CID 4201247) is 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is O=c1c(=CC=Cc2ccccc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12.
What is the InChIKey of 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is FBEXTNHMPLDAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2OS/c29-25-22(18-10-13-19-11-4-1-5-12-19)30-26-27-23(20-14-6-2-7-15-20)24(28(25)26)21-16-8-3-9-17-21/h1-18H.
What are the key properties of 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 406.51 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cinnamylidene-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 4201247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).