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

C24H23N3O3S — CID 26842688

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 26842688) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 26842688
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
• SMILES: COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cc(C)cc3s2)c1OC
• InChI: InChI=1S/C24H23N3O3S/c1-15-11-16(2)21-20(12-15)31-24(26-21)27(14-17-7-6-10-25-13-17)23(28)18-8-5-9-19(29-3)22(18)30-4/h5-13H,14H2,1-4H3
• InChIKey: HDCQOVQUNXCMHM-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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?

The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide (CID 26842688) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide.

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

The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cc(C)cc3s2)c1OC.

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

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

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-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-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 26842688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).