2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

C26H17N3O2S — CID 1345534

IUPAC2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCN1C(=O)C(=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)c2ccccc21
InChIInChI=1S/C26H17N3O2S/c1-28-19-15-9-8-14-18(19)20(24(28)30)23-25(31)29-22(17-12-6-3-7-13-17)21(27-26(29)32-23)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyKAEILQRPOWMMOY-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.98
Rot. Bonds2

About 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 1345534) has the molecular formula C26H17N3O2S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID1345534
Molecular FormulaC26H17N3O2S
Molecular Weight435.51 g/mol
Exact Mass435.10
IUPAC Name2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCN1C(=O)C(=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)c2ccccc21
InChIInChI=1S/C26H17N3O2S/c1-28-19-15-9-8-14-18(19)20(24(28)30)23-25(31)29-22(17-12-6-3-7-13-17)21(27-26(29)32-23)16-10-4-2-5-11-16/h2-15H,1H3
InChIKeyKAEILQRPOWMMOY-UHFFFAOYSA-N
XLogP3.98
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2186518
5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1286559
2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide
CID 71952920
6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 23823031
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2001390
2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5113762
2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3336449
2-(1-butyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3875195
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 23430953
2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetic acid
CID 6527966
2-(2-oxo-1-prop-2-enylindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3844830
2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4500339

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (CID 1345534) is 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is CN1C(=O)C(=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is KAEILQRPOWMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O2S/c1-28-19-15-9-8-14-18(19)20(24(28)30)23-25(31)29-22(17-12-6-3-7-13-17)21(27-26(29)32-23)16-10-4-2-5-11-16/h2-15H,1H3.
What are the key properties of 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 435.51 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 1345534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).