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

C17H15N3O3S — CID 155526721

IUPAC(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1c(OC)nc3sc(C)cn13)C(=O)N2
InChIInChI=1S/C17H15N3O3S/c1-9-8-20-14(16(23-3)19-17(20)24-9)7-12-11-6-10(22-2)4-5-13(11)18-15(12)21/h4-8H,1-3H3,(H,18,21)/b12-7+
InChIKeyIXIFBFHCEKLSGV-KPKJPENVSA-N
MW341.39 g/mol
LogP3.21
Rot. Bonds3

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

(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 155526721) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID155526721
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1c(OC)nc3sc(C)cn13)C(=O)N2
InChIInChI=1S/C17H15N3O3S/c1-9-8-20-14(16(23-3)19-17(20)24-9)7-12-11-6-10(22-2)4-5-13(11)18-15(12)21/h4-8H,1-3H3,(H,18,21)/b12-7+
InChIKeyIXIFBFHCEKLSGV-KPKJPENVSA-N
XLogP3.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.21
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 (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (CID 155526721) is (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is COc1ccc2c(c1)/C(=C\c1c(OC)nc3sc(C)cn13)C(=O)N2.
What is the InChIKey of (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is IXIFBFHCEKLSGV-KPKJPENVSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-9-8-20-14(16(23-3)19-17(20)24-9)7-12-11-6-10(22-2)4-5-13(11)18-15(12)21/h4-8H,1-3H3,(H,18,21)/b12-7+.
What are the key properties of (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 341.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 155526721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).