N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide

C24H20N4OS — CID 43987200

About N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 43987200) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
• PubChem CID: 43987200
• Molecular Formula: C24H20N4OS
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.14
• IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
• SMILES: CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3c[nH]c4ccccc34)nc12
• InChI: InChI=1S/C24H20N4OS/c1-2-16-8-7-12-21-22(16)27-24(30-21)28(15-17-9-5-6-13-25-17)23(29)19-14-26-20-11-4-3-10-18(19)20/h3-14,26H,2,15H2,1H3
• InChIKey: VYXPWLGPKGOLIN-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide?

The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide (CID 43987200) is N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide.

What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide?

The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide is CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3c[nH]c4ccccc34)nc12.

What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide?

The InChIKey is VYXPWLGPKGOLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-2-16-8-7-12-21-22(16)27-24(30-21)28(15-17-9-5-6-13-25-17)23(29)19-14-26-20-11-4-3-10-18(19)20/h3-14,26H,2,15H2,1H3.

What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide?

N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43987200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).