(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one

C19H14N4OS — CID 70686549

IUPAC(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one
SMILESCc1nn2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(C)nc2s1
InChIInChI=1S/C19H14N4OS/c1-10-16(23-19(20-10)25-11(2)22-23)9-15-14-8-7-12-5-3-4-6-13(12)17(14)21-18(15)24/h3-9H,1-2H3,(H,21,24)/b15-9+
InChIKeyJHCVNCUWPLFZSO-OQLLNIDSSA-N
MW346.42 g/mol
LogP4.05
Rot. Bonds1

About (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one

(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one (PubChem CID 70686549) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one
PubChem CID70686549
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one
SMILESCc1nn2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(C)nc2s1
InChIInChI=1S/C19H14N4OS/c1-10-16(23-19(20-10)25-11(2)22-23)9-15-14-8-7-12-5-3-4-6-13(12)17(14)21-18(15)24/h3-9H,1-2H3,(H,21,24)/b15-9+
InChIKeyJHCVNCUWPLFZSO-OQLLNIDSSA-N
XLogP4.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-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

Related Compounds

(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one
CID 56963902
(3E)-3-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one
CID 24204572
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one
CID 25155047
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one
CID 70694911
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-3,4-dimethylbenzamide
CID 53163287
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-2,4-dimethylbenzamide
CID 53163306
(3E)-3-[[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one
CID 155806869
(3E)-6-chloro-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one
CID 155811218
(3E)-5-chloro-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one
CID 155814528
(3Z)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one
CID 24205829
(3E)-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one
CID 155816046
N-({2-Ethyl-6-phenylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-3,4-dimethylbenzamide
CID 53163373

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one?
The IUPAC name of (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one (CID 70686549) is (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one.
What is the SMILES notation for (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one?
The canonical SMILES for (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one is Cc1nn2c(/C=C3/C(=O)Nc4c3ccc3ccccc43)c(C)nc2s1.
What is the InChIKey of (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one?
The InChIKey is JHCVNCUWPLFZSO-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-10-16(23-19(20-10)25-11(2)22-23)9-15-14-8-7-12-5-3-4-6-13(12)17(14)21-18(15)24/h3-9H,1-2H3,(H,21,24)/b15-9+.
What are the key properties of (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one?
(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one has a molecular weight of 346.42 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-benzo[g]indol-2-one is sourced from PubChem (CID 70686549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).