N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide

C16H9N3O3S — CID 5240847

IUPACN-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1nc2ccccc2s1
InChIInChI=1S/C16H9N3O3S/c20-13-9-6-5-8(7-10(9)14(21)19-13)17-15(22)16-18-11-3-1-2-4-12(11)23-16/h1-7H,(H,17,22)(H,19,20,21)
InChIKeyMIXXBFHGLIDTOW-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.43
Rot. Bonds2

About N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide

N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 5240847) has the molecular formula C16H9N3O3S and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID5240847
Molecular FormulaC16H9N3O3S
Molecular Weight323.33 g/mol
Exact Mass323.04
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1nc2ccccc2s1
InChIInChI=1S/C16H9N3O3S/c20-13-9-6-5-8(7-10(9)14(21)19-13)17-15(22)16-18-11-3-1-2-4-12(11)23-16/h1-7H,(H,17,22)(H,19,20,21)
InChIKeyMIXXBFHGLIDTOW-UHFFFAOYSA-N
XLogP2.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide 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-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 18585512
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-(2-methyl-4-pyridinyl)-1,3-benzothiazole-2-carboxamide
CID 110700628
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
CID 2953655
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122297707
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide
CID 117074219
N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
CID 5124389
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122317189

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide (CID 5240847) is N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is MIXXBFHGLIDTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3O3S/c20-13-9-6-5-8(7-10(9)14(21)19-13)17-15(22)16-18-11-3-1-2-4-12(11)23-16/h1-7H,(H,17,22)(H,19,20,21).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide?
N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 5240847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).