N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide

C19H14N6O3S — CID 94921220

About N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide

N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 94921220) has the molecular formula C19H14N6O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
• PubChem CID: 94921220
• Molecular Formula: C19H14N6O3S
• Molecular Weight: 406.43 g/mol
• Exact Mass: 406.08
• IUPAC Name: N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
• SMILES: O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc2nsnc2c1
• InChI: InChI=1S/C19H14N6O3S/c26-16-9-12(10-25(16)13-4-2-1-3-5-13)18-21-22-19(28-18)20-17(27)11-6-7-14-15(8-11)24-29-23-14/h1-8,12H,9-10H2,(H,20,22,27)/t12-/m0/s1
• InChIKey: GINVICXCVUHSBQ-LBPRGKRZSA-N
• XLogP: 2.85
• TPSA: 114.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.43
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide?

The IUPAC name of N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide (CID 94921220) is N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide.

What is the SMILES notation for N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide?

The canonical SMILES for N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccc2nsnc2c1.

What is the InChIKey of N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide?

The InChIKey is GINVICXCVUHSBQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H14N6O3S/c26-16-9-12(10-25(16)13-4-2-1-3-5-13)18-21-22-19(28-18)20-17(27)11-6-7-14-15(8-11)24-29-23-14/h1-8,12H,9-10H2,(H,20,22,27)/t12-/m0/s1.

What are the key properties of N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide?

N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 94921220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).