N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C19H16N4O3S — CID 16955882

IUPACN'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C19H16N4O3S/c24-16-9-4-10-23(16)13-6-3-5-12(11-13)20-17(25)18(26)22-19-21-14-7-1-2-8-15(14)27-19/h1-3,5-8,11H,4,9-10H2,(H,20,25)(H,21,22,26)
InChIKeyZHNSYRYSSABJQL-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.00
Rot. Bonds3

About N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 16955882) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID16955882
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C19H16N4O3S/c24-16-9-4-10-23(16)13-6-3-5-12(11-13)20-17(25)18(26)22-19-21-14-7-1-2-8-15(14)27-19/h1-3,5-8,11H,4,9-10H2,(H,20,25)(H,21,22,26)
InChIKeyZHNSYRYSSABJQL-UHFFFAOYSA-N
XLogP3.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9327000
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N'-(2-methylsulfanylphenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 121054638
N'-(2-ethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679480
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 95368106
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
CID 51213619

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 16955882) is N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is ZHNSYRYSSABJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-16-9-4-10-23(16)13-6-3-5-12(11-13)20-17(25)18(26)22-19-21-14-7-1-2-8-15(14)27-19/h1-3,5-8,11H,4,9-10H2,(H,20,25)(H,21,22,26).
What are the key properties of N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 380.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 16955882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).