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

C20H15N3O2S — CID 155543924

IUPAC(3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one
SMILESCOc1nc2sc(C)cn2c1/C=C1/C(=O)Nc2c1ccc1ccccc21
InChIInChI=1S/C20H15N3O2S/c1-11-10-23-16(19(25-2)22-20(23)26-11)9-15-14-8-7-12-5-3-4-6-13(12)17(14)21-18(15)24/h3-10H,1-2H3,(H,21,24)/b15-9+
InChIKeyZZWBPDMKIRAWQA-OQLLNIDSSA-N
MW361.43 g/mol
LogP4.36
Rot. Bonds2

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

(3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one (PubChem CID 155543924) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one
PubChem CID155543924
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one
SMILESCOc1nc2sc(C)cn2c1/C=C1/C(=O)Nc2c1ccc1ccccc21
InChIInChI=1S/C20H15N3O2S/c1-11-10-23-16(19(25-2)22-20(23)26-11)9-15-14-8-7-12-5-3-4-6-13(12)17(14)21-18(15)24/h3-10H,1-2H3,(H,21,24)/b15-9+
InChIKeyZZWBPDMKIRAWQA-OQLLNIDSSA-N
XLogP4.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one?
The IUPAC name of (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one (CID 155543924) is (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one.
What is the SMILES notation for (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one?
The canonical SMILES for (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one is COc1nc2sc(C)cn2c1/C=C1/C(=O)Nc2c1ccc1ccccc21.
What is the InChIKey of (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one?
The InChIKey is ZZWBPDMKIRAWQA-OQLLNIDSSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-11-10-23-16(19(25-2)22-20(23)26-11)9-15-14-8-7-12-5-3-4-6-13(12)17(14)21-18(15)24/h3-10H,1-2H3,(H,21,24)/b15-9+.
What are the key properties of (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one?
(3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one has a molecular weight of 361.43 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one is sourced from PubChem (CID 155543924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).