N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

C24H23N3OS2 — CID 41318980

About N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 41318980) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 41318980
• Molecular Formula: C24H23N3OS2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.13
• IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
• SMILES: Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc(SC(C)C)c3)sc2c1
• InChI: InChI=1S/C24H23N3OS2/c1-16(2)29-20-8-4-7-19(13-20)23(28)27(15-18-6-5-11-25-14-18)24-26-21-10-9-17(3)12-22(21)30-24/h4-14,16H,15H2,1-3H3
• InChIKey: PZRXTKPXKKQUAF-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 46.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide (CID 41318980) is N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc(SC(C)C)c3)sc2c1.

What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is PZRXTKPXKKQUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-16(2)29-20-8-4-7-19(13-20)23(28)27(15-18-6-5-11-25-14-18)24-26-21-10-9-17(3)12-22(21)30-24/h4-14,16H,15H2,1-3H3.

What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?

N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 433.60 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 41318980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).