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

C16H13N3O3S — CID 70684410

IUPAC5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1c(OC)nc3sccn13)C(=O)N2
InChIInChI=1S/C16H13N3O3S/c1-21-9-3-4-12-10(7-9)11(14(20)17-12)8-13-15(22-2)18-16-19(13)5-6-23-16/h3-8H,1-2H3,(H,17,20)
InChIKeyUCLIVJMQPXQAHK-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.91
Rot. Bonds3

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

5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 70684410) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID70684410
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1c(OC)nc3sccn13)C(=O)N2
InChIInChI=1S/C16H13N3O3S/c1-21-9-3-4-12-10(7-9)11(14(20)17-12)8-13-15(22-2)18-16-19(13)5-6-23-16/h3-8H,1-2H3,(H,17,20)
InChIKeyUCLIVJMQPXQAHK-UHFFFAOYSA-N
XLogP2.91
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (CID 70684410) is 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is COc1ccc2c(c1)C(=Cc1c(OC)nc3sccn13)C(=O)N2.
What is the InChIKey of 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is UCLIVJMQPXQAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-21-9-3-4-12-10(7-9)11(14(20)17-12)8-13-15(22-2)18-16-19(13)5-6-23-16/h3-8H,1-2H3,(H,17,20).
What are the key properties of 5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 327.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 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]-1H-indol-2-one is sourced from PubChem (CID 70684410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).