1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione

C21H17N3O3S — CID 2925776

IUPAC1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1
InChIInChI=1S/C21H17N3O3S/c1-12-10-13-4-2-3-5-16(13)23(12)20(27)14-6-7-15-17(11-14)28-21(22-15)24-18(25)8-9-19(24)26/h2-7,11-12H,8-10H2,1H3
InChIKeyZVBWEDAILUGJTB-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.54
Rot. Bonds2

About 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione

1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione (PubChem CID 2925776) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione
PubChem CID2925776
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1
InChIInChI=1S/C21H17N3O3S/c1-12-10-13-4-2-3-5-16(13)23(12)20(27)14-6-7-15-17(11-14)28-21(22-15)24-18(25)8-9-19(24)26/h2-7,11-12H,8-10H2,1H3
InChIKeyZVBWEDAILUGJTB-UHFFFAOYSA-N
XLogP3.54
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione (CID 2925776) is 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione is CC1Cc2ccccc2N1C(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1.
What is the InChIKey of 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione?
The InChIKey is ZVBWEDAILUGJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-12-10-13-4-2-3-5-16(13)23(12)20(27)14-6-7-15-17(11-14)28-21(22-15)24-18(25)8-9-19(24)26/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione?
1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione has a molecular weight of 391.45 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2925776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).