N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide

C22H13N3O3S — CID 1248679

IUPACN-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H13N3O3S/c26-19(24-22-23-17-7-3-4-8-18(17)29-22)13-9-11-14(12-10-13)25-20(27)15-5-1-2-6-16(15)21(25)28/h1-12H,(H,23,24,26)
InChIKeyCEUQCBBAOIHVCK-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.35
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide

N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 1248679) has the molecular formula C22H13N3O3S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID1248679
Molecular FormulaC22H13N3O3S
Molecular Weight399.43 g/mol
Exact Mass399.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H13N3O3S/c26-19(24-22-23-17-7-3-4-8-18(17)29-22)13-9-11-14(12-10-13)25-20(27)15-5-1-2-6-16(15)21(25)28/h1-12H,(H,23,24,26)
InChIKeyCEUQCBBAOIHVCK-UHFFFAOYSA-N
XLogP4.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-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

Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3464705
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 940171
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 19197399
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
N-(1,3-benzothiazol-2-yl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 2977032
N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 833754
N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 8701123
N-(1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8882679

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 1248679) is N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide is O=C(Nc1nc2ccccc2s1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is CEUQCBBAOIHVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O3S/c26-19(24-22-23-17-7-3-4-8-18(17)29-22)13-9-11-14(12-10-13)25-20(27)15-5-1-2-6-16(15)21(25)28/h1-12H,(H,23,24,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 399.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 1248679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).