(3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one

C23H19N3O3S — CID 25155314

IUPAC(3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one
SMILESCOc1ccc(OC)c(-c2nc3sccn3c2/C=C2/C(=O)N(C)c3ccccc32)c1
InChIInChI=1S/C23H19N3O3S/c1-25-18-7-5-4-6-15(18)16(22(25)27)13-19-21(24-23-26(19)10-11-30-23)17-12-14(28-2)8-9-20(17)29-3/h4-13H,1-3H3/b16-13+
InChIKeyQVNTYBXBKSPMRZ-DTQAZKPQSA-N
MW417.49 g/mol
LogP4.60
Rot. Bonds4

About (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one

(3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one (PubChem CID 25155314) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one
PubChem CID25155314
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name(3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one
SMILESCOc1ccc(OC)c(-c2nc3sccn3c2/C=C2/C(=O)N(C)c3ccccc32)c1
InChIInChI=1S/C23H19N3O3S/c1-25-18-7-5-4-6-15(18)16(22(25)27)13-19-21(24-23-26(19)10-11-30-23)17-12-14(28-2)8-9-20(17)29-3/h4-13H,1-3H3/b16-13+
InChIKeyQVNTYBXBKSPMRZ-DTQAZKPQSA-N
XLogP4.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 56963903
5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70684410
N-cyclohexyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018510
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2-methoxybenzamide
CID 752438
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-3,5-dimethoxybenzamide
CID 7151228
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-3,4-dimethoxybenzamide
CID 7151241
2,3-dimethoxy-N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)benzamide
CID 7151271
2-[(E)-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 11199877
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018496
N-ethyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018508
Dimethyl 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 24823575
Bis(prop-2-enyl) 4-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 53261538

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one?
The IUPAC name of (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one (CID 25155314) is (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one.
What is the SMILES notation for (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one?
The canonical SMILES for (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one is COc1ccc(OC)c(-c2nc3sccn3c2/C=C2/C(=O)N(C)c3ccccc32)c1.
What is the InChIKey of (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one?
The InChIKey is QVNTYBXBKSPMRZ-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-25-18-7-5-4-6-15(18)16(22(25)27)13-19-21(24-23-26(19)10-11-30-23)17-12-14(28-2)8-9-20(17)29-3/h4-13H,1-3H3/b16-13+.
What are the key properties of (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one?
(3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one has a molecular weight of 417.49 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one is sourced from PubChem (CID 25155314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).