N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

C24H26N4O4S — CID 24892360

IUPACN-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12
InChIInChI=1S/C24H26N4O4S/c1-15-8-9-18(32-4)21-22(15)33-24(25-21)27(13-12-26(2)3)23(31)16-6-5-7-17(14-16)28-19(29)10-11-20(28)30/h5-9,14H,10-13H2,1-4H3
InChIKeyUDIKDDGUPCUZAW-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 24892360) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID24892360
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12
InChIInChI=1S/C24H26N4O4S/c1-15-8-9-18(32-4)21-22(15)33-24(25-21)27(13-12-26(2)3)23(31)16-6-5-7-17(14-16)28-19(29)10-11-20(28)30/h5-9,14H,10-13H2,1-4H3
InChIKeyUDIKDDGUPCUZAW-UHFFFAOYSA-N
XLogP3.48
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-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-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (CID 24892360) is N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UDIKDDGUPCUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15-8-9-18(32-4)21-22(15)33-24(25-21)27(13-12-26(2)3)23(31)16-6-5-7-17(14-16)28-19(29)10-11-20(28)30/h5-9,14H,10-13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 466.56 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 24892360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).