2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

C17H19N3O3S — CID 2151001

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)cc(C)cc21
InChIInChI=1S/C17H19N3O3S/c1-4-19-12-8-10(2)7-11(3)16(12)24-17(19)18-13(21)9-20-14(22)5-6-15(20)23/h7-8H,4-6,9H2,1-3H3/b18-17-
InChIKeyFUMZIOITLHYODU-ZCXUNETKSA-N
MW345.42 g/mol
LogP1.92
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 2151001) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID2151001
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)cc(C)cc21
InChIInChI=1S/C17H19N3O3S/c1-4-19-12-8-10(2)7-11(3)16(12)24-17(19)18-13(21)9-20-14(22)5-6-15(20)23/h7-8H,4-6,9H2,1-3H3/b18-17-
InChIKeyFUMZIOITLHYODU-ZCXUNETKSA-N
XLogP1.92
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide 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 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 2151001) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)cc(C)cc21.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is FUMZIOITLHYODU-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-19-12-8-10(2)7-11(3)16(12)24-17(19)18-13(21)9-20-14(22)5-6-15(20)23/h7-8H,4-6,9H2,1-3H3/b18-17-.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 2151001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).