N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

C26H20ClN3O2S — CID 43967066

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide (PubChem CID 43967066) has the molecular formula C26H20ClN3O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
• PubChem CID: 43967066
• Molecular Formula: C26H20ClN3O2S
• Molecular Weight: 473.99 g/mol
• Exact Mass: 473.10
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
• SMILES: CCOc1ccc2ccccc2c1C(=O)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1
• InChI: InChI=1S/C26H20ClN3O2S/c1-2-32-22-12-9-18-7-3-4-8-20(18)24(22)25(31)30(16-17-6-5-13-28-15-17)26-29-21-11-10-19(27)14-23(21)33-26/h3-15H,2,16H2,1H3
• InChIKey: WYDARUQNWJWUIY-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.99
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide (CID 43967066) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide.

What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1.

What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

The InChIKey is WYDARUQNWJWUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2S/c1-2-32-22-12-9-18-7-3-4-8-20(18)24(22)25(31)30(16-17-6-5-13-28-15-17)26-29-21-11-10-19(27)14-23(21)33-26/h3-15H,2,16H2,1H3.

What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 473.99 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 43967066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).