6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

C24H20N6O4S2 — CID 178100785

IUPAC6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4cccc(-c5nccs5)c4)ns2)CCC3)C(=O)N1
InChIInChI=1S/C24H20N6O4S2/c31-17-7-6-16(21(32)26-17)30-23(33)15-5-2-9-29(19(15)24(30)34)12-18-27-20(28-36-18)13-3-1-4-14(11-13)22-25-8-10-35-22/h1,3-4,8,10-11,16H,2,5-7,9,12H2,(H,26,31,32)
InChIKeyGSEVNTCJQWNHFW-UHFFFAOYSA-N
MW520.60 g/mol
LogP2.35
Rot. Bonds5

About 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 178100785) has the molecular formula C24H20N6O4S2 and a molecular weight of 520.60 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID178100785
Molecular FormulaC24H20N6O4S2
Molecular Weight520.60 g/mol
Exact Mass520.10
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4cccc(-c5nccs5)c4)ns2)CCC3)C(=O)N1
InChIInChI=1S/C24H20N6O4S2/c31-17-7-6-16(21(32)26-17)30-23(33)15-5-2-9-29(19(15)24(30)34)12-18-27-20(28-36-18)13-3-1-4-14(11-13)22-25-8-10-35-22/h1,3-4,8,10-11,16H,2,5-7,9,12H2,(H,26,31,32)
InChIKeyGSEVNTCJQWNHFW-UHFFFAOYSA-N
XLogP2.35
TPSA125.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.60
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione 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 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (CID 178100785) is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is O=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4cccc(-c5nccs5)c4)ns2)CCC3)C(=O)N1.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is GSEVNTCJQWNHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O4S2/c31-17-7-6-16(21(32)26-17)30-23(33)15-5-2-9-29(19(15)24(30)34)12-18-27-20(28-36-18)13-3-1-4-14(11-13)22-25-8-10-35-22/h1,3-4,8,10-11,16H,2,5-7,9,12H2,(H,26,31,32).
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 520.60 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(1,3-thiazol-2-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 178100785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).