N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride

C23H25ClN4O2S2 — CID 44933280

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride (PubChem CID 44933280) has the molecular formula C23H25ClN4O2S2 and a molecular weight of 489.07 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride
• PubChem CID: 44933280
• Molecular Formula: C23H25ClN4O2S2
• Molecular Weight: 489.07 g/mol
• Exact Mass: 488.11
• IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride
• SMILES: CCc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc4ncsc4c3)sc2c1.Cl
• InChI: InChI=1S/C23H24N4O2S2.ClH/c1-2-16-3-5-19-21(13-16)31-23(25-19)27(8-7-26-9-11-29-12-10-26)22(28)17-4-6-18-20(14-17)30-15-24-18;/h3-6,13-15H,2,7-12H2,1H3;1H
• InChIKey: JDGNTUCJYFRELV-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 58.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.07
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride (CID 44933280) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride.

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

The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride is CCc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc4ncsc4c3)sc2c1.Cl.

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

The InChIKey is JDGNTUCJYFRELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S2.ClH/c1-2-16-3-5-19-21(13-16)31-23(25-19)27(8-7-26-9-11-29-12-10-26)22(28)17-4-6-18-20(14-17)30-15-24-18;/h3-6,13-15H,2,7-12H2,1H3;1H.

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

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride has a molecular weight of 489.07 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide;hydrochloride is sourced from PubChem (CID 44933280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).