N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide

C23H17ClN4OS — CID 43987536

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide (PubChem CID 43987536) has the molecular formula C23H17ClN4OS and a molecular weight of 432.94 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
• PubChem CID: 43987536
• Molecular Formula: C23H17ClN4OS
• Molecular Weight: 432.94 g/mol
• Exact Mass: 432.08
• IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide
• SMILES: Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3c[nH]c4ccccc34)nc12
• InChI: InChI=1S/C23H17ClN4OS/c1-14-18(24)9-10-20-21(14)27-23(30-20)28(13-15-6-4-5-11-25-15)22(29)17-12-26-19-8-3-2-7-16(17)19/h2-12,26H,13H2,1H3
• InChIKey: TWJAWXQMWCACMF-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.94
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide?

The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide (CID 43987536) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide.

What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide?

The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide is Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3c[nH]c4ccccc34)nc12.

What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide?

The InChIKey is TWJAWXQMWCACMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4OS/c1-14-18(24)9-10-20-21(14)27-23(30-20)28(13-15-6-4-5-11-25-15)22(29)17-12-26-19-8-3-2-7-16(17)19/h2-12,26H,13H2,1H3.

What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide?

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide has a molecular weight of 432.94 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43987536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).