N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride

C26H30ClN3O2S — CID 44925859

About N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride

N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride (PubChem CID 44925859) has the molecular formula C26H30ClN3O2S and a molecular weight of 484.07 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
• PubChem CID: 44925859
• Molecular Formula: C26H30ClN3O2S
• Molecular Weight: 484.07 g/mol
• Exact Mass: 483.17
• IUPAC Name: N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2c(C)cccc2s1.Cl
• InChI: InChI=1S/C26H29N3O2S.ClH/c1-5-28(6-2)14-15-29(26-27-24-18(3)10-9-13-23(24)32-26)25(30)21-16-19-11-7-8-12-20(19)17-22(21)31-4;/h7-13,16-17H,5-6,14-15H2,1-4H3;1H
• InChIKey: PDINPRRFDKGUFB-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.07
LogP ≤ 5	6.18
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-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?

The IUPAC name of N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride (CID 44925859) is N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?

The canonical SMILES for N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride is CCN(CC)CCN(C(=O)c1cc2ccccc2cc1OC)c1nc2c(C)cccc2s1.Cl.

What is the InChIKey of N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?

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

What are the key properties of N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride?

N-[2-(diethylamino)ethyl]-3-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride has a molecular weight of 484.07 g/mol, XLogP of 6.18, 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-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 44925859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).