N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride

C25H25Cl2N3O3S — CID 44933447

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride

N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride (PubChem CID 44933447) has the molecular formula C25H25Cl2N3O3S and a molecular weight of 518.47 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride
• PubChem CID: 44933447
• Molecular Formula: C25H25Cl2N3O3S
• Molecular Weight: 518.47 g/mol
• Exact Mass: 517.10
• IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride
• SMILES: COc1cc2ccccc2cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1.Cl
• InChI: InChI=1S/C25H24ClN3O3S.ClH/c1-31-22-15-18-5-3-2-4-17(18)14-20(22)24(30)29(9-8-28-10-12-32-13-11-28)25-27-21-7-6-19(26)16-23(21)33-25;/h2-7,14-16H,8-13H2,1H3;1H
• InChIKey: CZLYNUJUCGGGOT-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.47
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride?

The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride (CID 44933447) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride.

What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride?

The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride is COc1cc2ccccc2cc1C(=O)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1.Cl.

What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride?

The InChIKey is CZLYNUJUCGGGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3S.ClH/c1-31-22-15-18-5-3-2-4-17(18)14-20(22)24(30)29(9-8-28-10-12-32-13-11-28)25-27-21-7-6-19(26)16-23(21)33-25;/h2-7,14-16H,8-13H2,1H3;1H.

What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride?

N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride has a molecular weight of 518.47 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 44933447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).