N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide

C24H23N3OS — CID 40694320

About N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 40694320) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 40694320
• Molecular Formula: C24H23N3OS
• Molecular Weight: 401.54 g/mol
• Exact Mass: 401.16
• IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide
• SMILES: CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C)c(C)c3)sc2c1
• InChI: InChI=1S/C24H23N3OS/c1-4-18-8-10-21-22(13-18)29-24(26-21)27(15-19-6-5-11-25-14-19)23(28)20-9-7-16(2)17(3)12-20/h5-14H,4,15H2,1-3H3
• InChIKey: TVUMXNDABOZXJC-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.54
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide (CID 40694320) is N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide.

What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide?

The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide is CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C)c(C)c3)sc2c1.

What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide?

The InChIKey is TVUMXNDABOZXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-4-18-8-10-21-22(13-18)29-24(26-21)27(15-19-6-5-11-25-14-19)23(28)20-9-7-16(2)17(3)12-20/h5-14H,4,15H2,1-3H3.

What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide?

N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 401.54 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 40694320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).