6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one

C13H12N2O3S — CID 658285

IUPAC6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(c1nccs1)C2
InChIInChI=1S/C13H12N2O3S/c1-17-9-4-3-8-7-15(13-14-5-6-19-13)12(16)10(8)11(9)18-2/h3-6H,7H2,1-2H3
InChIKeyUJNTWVLYYAUMHD-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.32
Rot. Bonds3

About 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one

6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one (PubChem CID 658285) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one
PubChem CID658285
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(c1nccs1)C2
InChIInChI=1S/C13H12N2O3S/c1-17-9-4-3-8-7-15(13-14-5-6-19-13)12(16)10(8)11(9)18-2/h3-6H,7H2,1-2H3
InChIKeyUJNTWVLYYAUMHD-UHFFFAOYSA-N
XLogP2.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-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

N-(1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 669593
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
Thiophene-2-carboxylic acid (3,4-dimethoxy-benzyl)-thiazol-2-yl-amide
CID 655178
4-acetyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 660560
3,4-dimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 3243930
6,7-Dimethoxy-2-(5-methyl-1,3-thiazol-2-yl)-1-isoindolinone
CID 889932
7,8-dimethoxy-1-oxo-N-(1,3-thiazol-2-yl)isothiochromene-3-carboxamide
CID 699987
2,3-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 912379
6,7-dimethoxy-3-(1,3-thiazol-2-ylamino)-3H-2-benzofuran-1-one
CID 606280
Cambridge id 6171635
CID 2889201
4,5-Dimethoxy-2-(4-phenyl-1,3-thiazol-2-YL)-1H-isoindole-1,3(2H)-dione
CID 1359686
(R)-6-(2,3-dimethoxyphenyl)-11,12-dimethyl-5-(1,3-thiazol-2-yl)-2-oxa-5-azatricyclo[7.4.0.0(3),]trideca-1(9),3(7),10,12-tetraene-4,8-dione
CID 41417873

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one?
The IUPAC name of 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one (CID 658285) is 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one is COc1ccc2c(c1OC)C(=O)N(c1nccs1)C2.
What is the InChIKey of 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one?
The InChIKey is UJNTWVLYYAUMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-17-9-4-3-8-7-15(13-14-5-6-19-13)12(16)10(8)11(9)18-2/h3-6H,7H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one?
6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one has a molecular weight of 276.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 658285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).