N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

C25H27N3O3S — CID 41348203

About N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 41348203) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
• PubChem CID: 41348203
• Molecular Formula: C25H27N3O3S
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.18
• IUPAC Name: N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
• SMILES: COc1ccc2sc(N(CCCN(C)C)C(=O)c3cc4ccccc4cc3OC)nc2c1
• InChI: InChI=1S/C25H27N3O3S/c1-27(2)12-7-13-28(25-26-21-16-19(30-3)10-11-23(21)32-25)24(29)20-14-17-8-5-6-9-18(17)15-22(20)31-4/h5-6,8-11,14-16H,7,12-13H2,1-4H3
• InChIKey: IEEBJHXLQJMEPY-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (CID 41348203) is N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is COc1ccc2sc(N(CCCN(C)C)C(=O)c3cc4ccccc4cc3OC)nc2c1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The InChIKey is IEEBJHXLQJMEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-27(2)12-7-13-28(25-26-21-16-19(30-3)10-11-23(21)32-25)24(29)20-14-17-8-5-6-9-18(17)15-22(20)31-4/h5-6,8-11,14-16H,7,12-13H2,1-4H3.

What are the key properties of N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 41348203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).