N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H17N3O2S — CID 2925039

IUPACN-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2nc3ccccc3s2)CC1=O
InChIInChI=1S/C15H17N3O2S/c1-9(2)18-8-10(7-13(18)19)14(20)17-15-16-11-5-3-4-6-12(11)21-15/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,20)
InChIKeyAJVMJYXSVRPXDS-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.49
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 2925039) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID2925039
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2nc3ccccc3s2)CC1=O
InChIInChI=1S/C15H17N3O2S/c1-9(2)18-8-10(7-13(18)19)14(20)17-15-16-11-5-3-4-6-12(11)21-15/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,20)
InChIKeyAJVMJYXSVRPXDS-UHFFFAOYSA-N
XLogP2.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 2925039) is N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2nc3ccccc3s2)CC1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is AJVMJYXSVRPXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9(2)18-8-10(7-13(18)19)14(20)17-15-16-11-5-3-4-6-12(11)21-15/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2925039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).