(2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C21H19N3O2S2 — CID 25334846

IUPAC(2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1cn2c(/C=c3\s/c(=C\C(=O)c4ccccc4C)n(C)c3=O)c(C)nc2s1
InChIInChI=1S/C21H19N3O2S2/c1-12-7-5-6-8-15(12)17(25)10-19-23(4)20(26)18(28-19)9-16-14(3)22-21-24(16)11-13(2)27-21/h5-11H,1-4H3/b18-9-,19-10-
InChIKeyNCUNPRJBMHHMHW-JZAWIKSFSA-N
MW409.54 g/mol
LogP2.57
Rot. Bonds3

About (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 25334846) has the molecular formula C21H19N3O2S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID25334846
Molecular FormulaC21H19N3O2S2
Molecular Weight409.54 g/mol
Exact Mass409.09
IUPAC Name(2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1cn2c(/C=c3\s/c(=C\C(=O)c4ccccc4C)n(C)c3=O)c(C)nc2s1
InChIInChI=1S/C21H19N3O2S2/c1-12-7-5-6-8-15(12)17(25)10-19-23(4)20(26)18(28-19)9-16-14(3)22-21-24(16)11-13(2)27-21/h5-11H,1-4H3/b18-9-,19-10-
InChIKeyNCUNPRJBMHHMHW-JZAWIKSFSA-N
XLogP2.57
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 25334846) is (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is Cc1cn2c(/C=c3\s/c(=C\C(=O)c4ccccc4C)n(C)c3=O)c(C)nc2s1.
What is the InChIKey of (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is NCUNPRJBMHHMHW-JZAWIKSFSA-N. The full InChI is InChI=1S/C21H19N3O2S2/c1-12-7-5-6-8-15(12)17(25)10-19-23(4)20(26)18(28-19)9-16-14(3)22-21-24(16)11-13(2)27-21/h5-11H,1-4H3/b18-9-,19-10-.
What are the key properties of (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 409.54 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25334846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).