1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

C20H20N4O2S — CID 154563363

About 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide

1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 154563363) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
• PubChem CID: 154563363
• Molecular Formula: C20H20N4O2S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.13
• IUPAC Name: 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
• SMILES: Cc1ccc2nc(N3CC(C(=O)NCCc4ccccn4)CC3=O)sc2c1
• InChI: InChI=1S/C20H20N4O2S/c1-13-5-6-16-17(10-13)27-20(23-16)24-12-14(11-18(24)25)19(26)22-9-7-15-4-2-3-8-21-15/h2-6,8,10,14H,7,9,11-12H2,1H3,(H,22,26)
• InChIKey: GLTDRVWZJYBJLJ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?

The IUPAC name of 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide (CID 154563363) is 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is Cc1ccc2nc(N3CC(C(=O)NCCc4ccccn4)CC3=O)sc2c1.

What is the InChIKey of 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?

The InChIKey is GLTDRVWZJYBJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-5-6-16-17(10-13)27-20(23-16)24-12-14(11-18(24)25)19(26)22-9-7-15-4-2-3-8-21-15/h2-6,8,10,14H,7,9,11-12H2,1H3,(H,22,26).

What are the key properties of 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide?

1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154563363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).