N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide

C19H21N3O3S — CID 171835697

IUPACN-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)NC1CC(c2nc3ccccc3s2)C1
InChIInChI=1S/C19H21N3O3S/c23-16(6-3-9-22-17(24)7-8-18(22)25)20-13-10-12(11-13)19-21-14-4-1-2-5-15(14)26-19/h1-2,4-5,12-13H,3,6-11H2,(H,20,23)
InChIKeyCWLRGRDMUOAYDM-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.59
Rot. Bonds6

About N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide

N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 171835697) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID171835697
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CCC1=O)NC1CC(c2nc3ccccc3s2)C1
InChIInChI=1S/C19H21N3O3S/c23-16(6-3-9-22-17(24)7-8-18(22)25)20-13-10-12(11-13)19-21-14-4-1-2-5-15(14)26-19/h1-2,4-5,12-13H,3,6-11H2,(H,20,23)
InChIKeyCWLRGRDMUOAYDM-UHFFFAOYSA-N
XLogP2.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 171835725
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 171835845
N-[2-(1,3-benzothiazol-2-yl)cyclohexyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 171835727
1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylethyl]pyrrolidine-2,5-dione
CID 90480647
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034995
bromomethane;tert-butyl N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]carbamate
CID 169112911
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]pentane-1,4-dione
CID 9235219
1-[[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 27782574
4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-cycloheptyl-4-oxobutanamide
CID 28916671
3-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17441258
[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910799
4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 171835697) is N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide is O=C(CCCN1C(=O)CCC1=O)NC1CC(c2nc3ccccc3s2)C1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is CWLRGRDMUOAYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-16(6-3-9-22-17(24)7-8-18(22)25)20-13-10-12(11-13)19-21-14-4-1-2-5-15(14)26-19/h1-2,4-5,12-13H,3,6-11H2,(H,20,23).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 371.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)cyclobutyl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 171835697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).