5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione

C13H10N2O2S — CID 86734765

IUPAC5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione
SMILESCc1ccc(N)cc1N1C(=O)c2ccsc2C1=O
InChIInChI=1S/C13H10N2O2S/c1-7-2-3-8(14)6-10(7)15-12(16)9-4-5-18-11(9)13(15)17/h2-6H,14H2,1H3
InChIKeyIJSUCKBFRBOYOZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.44
Rot. Bonds1

About 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione

5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione (PubChem CID 86734765) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione
PubChem CID86734765
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione
SMILESCc1ccc(N)cc1N1C(=O)c2ccsc2C1=O
InChIInChI=1S/C13H10N2O2S/c1-7-2-3-8(14)6-10(7)15-12(16)9-4-5-18-11(9)13(15)17/h2-6H,14H2,1H3
InChIKeyIJSUCKBFRBOYOZ-UHFFFAOYSA-N
XLogP2.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(5-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 28773130
1-(5-amino-2-methylphenyl)piperidine-2,6-dione
CID 28930804
2-(5-amino-2-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103429554
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
6,13-bis(2,5-dimethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1035548
5-amino-2-(5-bromo-4-fluoro-2-methylphenyl)isoindole-1,3-dione
CID 107592889
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylaniline
CID 62588261
5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
CID 28773206
1-(5-amino-2-methylphenyl)-3-methylimidazolidin-2-one
CID 82512426
6-(4-amino-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 21433188
2-[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]isoindole-1,3-dione
CID 168516879

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione?
The IUPAC name of 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione (CID 86734765) is 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione?
The canonical SMILES for 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione is Cc1ccc(N)cc1N1C(=O)c2ccsc2C1=O.
What is the InChIKey of 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione?
The InChIKey is IJSUCKBFRBOYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-7-2-3-8(14)6-10(7)15-12(16)9-4-5-18-11(9)13(15)17/h2-6H,14H2,1H3.
What are the key properties of 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione?
5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione has a molecular weight of 258.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methylphenyl)thieno[2,3-c]pyrrole-4,6-dione is sourced from PubChem (CID 86734765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).