N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

C28H25N3O2S — CID 43967070

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide (PubChem CID 43967070) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
• PubChem CID: 43967070
• Molecular Formula: C28H25N3O2S
• Molecular Weight: 467.59 g/mol
• Exact Mass: 467.17
• IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
• SMILES: CCOc1ccc2ccccc2c1C(=O)N(Cc1cccnc1)c1nc2c(C)cc(C)cc2s1
• InChI: InChI=1S/C28H25N3O2S/c1-4-33-23-12-11-21-9-5-6-10-22(21)25(23)27(32)31(17-20-8-7-13-29-16-20)28-30-26-19(3)14-18(2)15-24(26)34-28/h5-16H,4,17H2,1-3H3
• InChIKey: XTPRDGBJOGCJOM-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.59
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide?

The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide (CID 43967070) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide.

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

The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)N(Cc1cccnc1)c1nc2c(C)cc(C)cc2s1.

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

The InChIKey is XTPRDGBJOGCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2S/c1-4-33-23-12-11-21-9-5-6-10-22(21)25(23)27(32)31(17-20-8-7-13-29-16-20)28-30-26-19(3)14-18(2)15-24(26)34-28/h5-16H,4,17H2,1-3H3.

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 43967070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).