N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

C26H29N3O2S — CID 43959260

About N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 43959260) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
• PubChem CID: 43959260
• Molecular Formula: C26H29N3O2S
• Molecular Weight: 447.60 g/mol
• Exact Mass: 447.20
• IUPAC Name: N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
• SMILES: CCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(C)cc2s1
• InChI: InChI=1S/C26H29N3O2S/c1-5-28(6-2)13-14-29(26-27-22-12-11-18(3)15-24(22)32-26)25(30)21-16-19-9-7-8-10-20(19)17-23(21)31-4/h7-12,15-17H,5-6,13-14H2,1-4H3
• InChIKey: AIWWYLNGKMKVKY-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.60
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (CID 43959260) is N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is CCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2ccc(C)cc2s1.

What is the InChIKey of N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The InChIKey is AIWWYLNGKMKVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-5-28(6-2)13-14-29(26-27-22-12-11-18(3)15-24(22)32-26)25(30)21-16-19-9-7-8-10-20(19)17-23(21)31-4/h7-12,15-17H,5-6,13-14H2,1-4H3.

What are the key properties of N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 43959260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).