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

C19H12N4OS — CID 70694913

IUPAC(3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1c(-c2ccccn2)nc2sccn12
InChIInChI=1S/C19H12N4OS/c24-18-13(12-5-1-2-6-14(12)21-18)11-16-17(15-7-3-4-8-20-15)22-19-23(16)9-10-25-19/h1-11H,(H,21,24)/b13-11+
InChIKeyFPAFBEIWRSKAPG-ACCUITESSA-N
MW344.40 g/mol
LogP3.95
Rot. Bonds2

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

(3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 70694913) has the molecular formula C19H12N4OS and a molecular weight of 344.40 g/mol. Its IUPAC name is (3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID70694913
Molecular FormulaC19H12N4OS
Molecular Weight344.40 g/mol
Exact Mass344.07
IUPAC Name(3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1c(-c2ccccn2)nc2sccn12
InChIInChI=1S/C19H12N4OS/c24-18-13(12-5-1-2-6-14(12)21-18)11-16-17(15-7-3-4-8-20-15)22-19-23(16)9-10-25-19/h1-11H,(H,21,24)/b13-11+
InChIKeyFPAFBEIWRSKAPG-ACCUITESSA-N
XLogP3.95
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (CID 70694913) is (3E)-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)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1c(-c2ccccn2)nc2sccn12.
What is the InChIKey of (3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is FPAFBEIWRSKAPG-ACCUITESSA-N. The full InChI is InChI=1S/C19H12N4OS/c24-18-13(12-5-1-2-6-14(12)21-18)11-16-17(15-7-3-4-8-20-15)22-19-23(16)9-10-25-19/h1-11H,(H,21,24)/b13-11+.
What are the key properties of (3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
(3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 344.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70694913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).