N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C20H17N3O3S — CID 7172917

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc2c1
InChIInChI=1S/C20H17N3O3S/c1-11-9-12(2)18-15(10-11)21-20(27-18)22-19(26)13-3-5-14(6-4-13)23-16(24)7-8-17(23)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,26)
InChIKeyDFPHXSJWGHAFEU-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.82
Rot. Bonds3

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 7172917) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID7172917
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc2c1
InChIInChI=1S/C20H17N3O3S/c1-11-9-12(2)18-15(10-11)21-20(27-18)22-19(26)13-3-5-14(6-4-13)23-16(24)7-8-17(23)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,26)
InChIKeyDFPHXSJWGHAFEU-UHFFFAOYSA-N
XLogP3.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide 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 N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 7172917) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is Cc1cc(C)c2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is DFPHXSJWGHAFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-11-9-12(2)18-15(10-11)21-20(27-18)22-19(26)13-3-5-14(6-4-13)23-16(24)7-8-17(23)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,22,26).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 379.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 7172917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).