4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C19H15N3O3S — CID 1266096

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1
InChIInChI=1S/C19H15N3O3S/c1-11-2-7-14-15(10-11)26-19(20-14)21-18(25)12-3-5-13(6-4-12)22-16(23)8-9-17(22)24/h2-7,10H,8-9H2,1H3,(H,20,21,25)
InChIKeySRUWDMPHHPSDFE-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.51
Rot. Bonds3

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1266096) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID1266096
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1
InChIInChI=1S/C19H15N3O3S/c1-11-2-7-14-15(10-11)26-19(20-14)21-18(25)12-3-5-13(6-4-12)22-16(23)8-9-17(22)24/h2-7,10H,8-9H2,1H3,(H,20,21,25)
InChIKeySRUWDMPHHPSDFE-UHFFFAOYSA-N
XLogP3.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
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 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 1266096) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is SRUWDMPHHPSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-11-2-7-14-15(10-11)26-19(20-14)21-18(25)12-3-5-13(6-4-12)22-16(23)8-9-17(22)24/h2-7,10H,8-9H2,1H3,(H,20,21,25).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 365.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1266096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).