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

C23H20ClN3O2S — CID 43967002

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

5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43967002) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
• PubChem CID: 43967002
• Molecular Formula: C23H20ClN3O2S
• Molecular Weight: 437.95 g/mol
• Exact Mass: 437.10
• IUPAC Name: 5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
• SMILES: COc1ccc(Cl)cc1C(=O)N(Cc1cccnc1)c1nc2cc(C)cc(C)c2s1
• InChI: InChI=1S/C23H20ClN3O2S/c1-14-9-15(2)21-19(10-14)26-23(30-21)27(13-16-5-4-8-25-12-16)22(28)18-11-17(24)6-7-20(18)29-3/h4-12H,13H2,1-3H3
• InChIKey: DUVHHZBYHUCIHP-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.95
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 43967002) is 5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide.

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

The canonical SMILES for 5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(Cl)cc1C(=O)N(Cc1cccnc1)c1nc2cc(C)cc(C)c2s1.

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

The InChIKey is DUVHHZBYHUCIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-14-9-15(2)21-19(10-14)26-23(30-21)27(13-16-5-4-8-25-12-16)22(28)18-11-17(24)6-7-20(18)29-3/h4-12H,13H2,1-3H3.

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

5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 437.95 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43967002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).