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

C20H14N4O2S — CID 56963903

IUPAC(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1c(-c3ccccn3)nc3sccn13)C(=O)N2
InChIInChI=1S/C20H14N4O2S/c1-26-12-5-6-15-13(10-12)14(19(25)22-15)11-17-18(16-4-2-3-7-21-16)23-20-24(17)8-9-27-20/h2-11H,1H3,(H,22,25)/b14-11+
InChIKeyLRQQBRIPEDYAAV-SDNWHVSQSA-N
MW374.43 g/mol
LogP3.96
Rot. Bonds3

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

(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 56963903) has the molecular formula C20H14N4O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID56963903
Molecular FormulaC20H14N4O2S
Molecular Weight374.43 g/mol
Exact Mass374.08
IUPAC Name(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)/C(=C\c1c(-c3ccccn3)nc3sccn13)C(=O)N2
InChIInChI=1S/C20H14N4O2S/c1-26-12-5-6-15-13(10-12)14(19(25)22-15)11-17-18(16-4-2-3-7-21-16)23-20-24(17)8-9-27-20/h2-11H,1H3,(H,22,25)/b14-11+
InChIKeyLRQQBRIPEDYAAV-SDNWHVSQSA-N
XLogP3.96
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.96
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-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (CID 56963903) is (3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is COc1ccc2c(c1)/C(=C\c1c(-c3ccccn3)nc3sccn13)C(=O)N2.
What is the InChIKey of (3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is LRQQBRIPEDYAAV-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H14N4O2S/c1-26-12-5-6-15-13(10-12)14(19(25)22-15)11-17-18(16-4-2-3-7-21-16)23-20-24(17)8-9-27-20/h2-11H,1H3,(H,22,25)/b14-11+.
What are the key properties of (3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 374.43 g/mol, XLogP of 3.96, 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-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 56963903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).