5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one

C17H15N3O3S — CID 70692875

IUPAC5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1c(OC)nc3sccn13)C(=O)N2C
InChIInChI=1S/C17H15N3O3S/c1-19-13-5-4-10(22-2)8-11(13)12(16(19)21)9-14-15(23-3)18-17-20(14)6-7-24-17/h4-9H,1-3H3
InChIKeySNPFPWPVICIARV-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.93
Rot. Bonds3

About 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one

5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one (PubChem CID 70692875) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
PubChem CID70692875
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1c(OC)nc3sccn13)C(=O)N2C
InChIInChI=1S/C17H15N3O3S/c1-19-13-5-4-10(22-2)8-11(13)12(16(19)21)9-14-15(23-3)18-17-20(14)6-7-24-17/h4-9H,1-3H3
InChIKeySNPFPWPVICIARV-UHFFFAOYSA-N
XLogP2.93
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.93
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'}

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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
(3E)-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70686552
(3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 155516965
(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 155526721
(3Z)-5-methoxy-1-methyl-3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]indol-2-one
CID 155555561
N-(imidazo[2,1-b]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 5310332
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one
CID 5473340
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one
CID 5473341
(3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
CID 25155312
(3E)-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one
CID 25155314
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one
CID 25158938

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one?
The IUPAC name of 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one (CID 70692875) is 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one.
What is the SMILES notation for 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one?
The canonical SMILES for 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one is COc1ccc2c(c1)C(=Cc1c(OC)nc3sccn13)C(=O)N2C.
What is the InChIKey of 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one?
The InChIKey is SNPFPWPVICIARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-19-13-5-4-10(22-2)8-11(13)12(16(19)21)9-14-15(23-3)18-17-20(14)6-7-24-17/h4-9H,1-3H3.
What are the key properties of 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one?
5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one has a molecular weight of 341.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one is sourced from PubChem (CID 70692875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).