1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C20H19N5O3S — CID 73146331

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 73146331) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
• PubChem CID: 73146331
• Molecular Formula: C20H19N5O3S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.12
• IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1cn2ccccc2n1)C1CCCN1C1=NS(=O)(=O)c2ccccc21
• InChI: InChI=1S/C20H19N5O3S/c26-20(21-12-14-13-24-10-4-3-9-18(24)22-14)16-7-5-11-25(16)19-15-6-1-2-8-17(15)29(27,28)23-19/h1-4,6,8-10,13,16H,5,7,11-12H2,(H,21,26)
• InChIKey: UECCXZAVJPGSOB-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 96.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 73146331) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1cn2ccccc2n1)C1CCCN1C1=NS(=O)(=O)c2ccccc21.

What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?

The InChIKey is UECCXZAVJPGSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-20(21-12-14-13-24-10-4-3-9-18(24)22-14)16-7-5-11-25(16)19-15-6-1-2-8-17(15)29(27,28)23-19/h1-4,6,8-10,13,16H,5,7,11-12H2,(H,21,26).

What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 73146331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).