N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C18H13N3O3S — CID 2789377

IUPACN-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C18H13N3O3S/c22-15(20-18-19-13-7-3-4-8-14(13)25-18)9-10-21-16(23)11-5-1-2-6-12(11)17(21)24/h1-8H,9-10H2,(H,19,20,22)
InChIKeyULXHINOEZKZYNA-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.92
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 2789377) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID2789377
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C18H13N3O3S/c22-15(20-18-19-13-7-3-4-8-14(13)25-18)9-10-21-16(23)11-5-1-2-6-12(11)17(21)24/h1-8H,9-10H2,(H,19,20,22)
InChIKeyULXHINOEZKZYNA-UHFFFAOYSA-N
XLogP2.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-1-naphthamide
CID 708647
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
2-[(4-Aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
CID 712274
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 889037
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 3284375

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 2789377) is N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ULXHINOEZKZYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-15(20-18-19-13-7-3-4-8-14(13)25-18)9-10-21-16(23)11-5-1-2-6-12(11)17(21)24/h1-8H,9-10H2,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 351.39 g/mol, XLogP of 2.92, 4 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)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 2789377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).