N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide

C24H23N3O3S — CID 41056200

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 41056200) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 41056200
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
• SMILES: COc1ccc(C(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1OC
• InChI: InChI=1S/C24H23N3O3S/c1-15-11-16(2)22-19(12-15)26-24(31-22)27(14-18-7-5-6-10-25-18)23(28)17-8-9-20(29-3)21(13-17)30-4/h5-13H,14H2,1-4H3
• InChIKey: QPKYGUMVEHVZSL-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide (CID 41056200) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2ccccn2)c2nc3cc(C)cc(C)c3s2)cc1OC.

What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is QPKYGUMVEHVZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-11-16(2)22-19(12-15)26-24(31-22)27(14-18-7-5-6-10-25-18)23(28)17-8-9-20(29-3)21(13-17)30-4/h5-13H,14H2,1-4H3.

What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 433.53 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 41056200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).