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

C18H17N3O3S — CID 155538657

IUPAC(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one
SMILESCOc1cc2c(cc1C)NC(=O)/C2=C/c1c(OC)nc2sc(C)cn12
InChIInChI=1S/C18H17N3O3S/c1-9-5-13-11(7-15(9)23-3)12(16(22)19-13)6-14-17(24-4)20-18-21(14)8-10(2)25-18/h5-8H,1-4H3,(H,19,22)/b12-6+
InChIKeyOPZIKHMAPIOJEF-WUXMJOGZSA-N
MW355.42 g/mol
LogP3.52
Rot. Bonds3

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

(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one (PubChem CID 155538657) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-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]-6-methyl-1H-indol-2-one
PubChem CID155538657
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one
SMILESCOc1cc2c(cc1C)NC(=O)/C2=C/c1c(OC)nc2sc(C)cn12
InChIInChI=1S/C18H17N3O3S/c1-9-5-13-11(7-15(9)23-3)12(16(22)19-13)6-14-17(24-4)20-18-21(14)8-10(2)25-18/h5-8H,1-4H3,(H,19,22)/b12-6+
InChIKeyOPZIKHMAPIOJEF-WUXMJOGZSA-N
XLogP3.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.52
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]-6-methyl-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]-6-methyl-1H-indol-2-one (CID 155538657) is (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-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]-6-methyl-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]-6-methyl-1H-indol-2-one is COc1cc2c(cc1C)NC(=O)/C2=C/c1c(OC)nc2sc(C)cn12.
What is the InChIKey of (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one?
The InChIKey is OPZIKHMAPIOJEF-WUXMJOGZSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-9-5-13-11(7-15(9)23-3)12(16(22)19-13)6-14-17(24-4)20-18-21(14)8-10(2)25-18/h5-8H,1-4H3,(H,19,22)/b12-6+.
What are the key properties of (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one?
(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one has a molecular weight of 355.42 g/mol, XLogP of 3.52, 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]-6-methyl-1H-indol-2-one is sourced from PubChem (CID 155538657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).