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

C23H20ClN3OS — CID 41117486

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

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 41117486) has the molecular formula C23H20ClN3OS and a molecular weight of 421.95 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 41117486
• Molecular Formula: C23H20ClN3OS
• Molecular Weight: 421.95 g/mol
• Exact Mass: 421.10
• IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
• SMILES: Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)c(Cl)ccc3s2)cc1C
• InChI: InChI=1S/C23H20ClN3OS/c1-14-7-8-17(12-15(14)2)22(28)27(13-18-6-4-5-11-25-18)23-26-21-16(3)19(24)9-10-20(21)29-23/h4-12H,13H2,1-3H3
• InChIKey: KSTMCYNXVDUZQJ-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.95
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide (CID 41117486) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide.

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

The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)c(Cl)ccc3s2)cc1C.

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

The InChIKey is KSTMCYNXVDUZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3OS/c1-14-7-8-17(12-15(14)2)22(28)27(13-18-6-4-5-11-25-18)23-26-21-16(3)19(24)9-10-20(21)29-23/h4-12H,13H2,1-3H3.

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

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 421.95 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 41117486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).