2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride

C19H22Cl3N3OS2 — CID 44932261

About 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride

2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride (PubChem CID 44932261) has the molecular formula C19H22Cl3N3OS2 and a molecular weight of 478.90 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride
• PubChem CID: 44932261
• Molecular Formula: C19H22Cl3N3OS2
• Molecular Weight: 478.90 g/mol
• Exact Mass: 477.03
• IUPAC Name: 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride
• SMILES: Cc1cc2nc(N(CCCN(C)C)C(=O)c3cc(Cl)sc3Cl)sc2cc1C.Cl
• InChI: InChI=1S/C19H21Cl2N3OS2.ClH/c1-11-8-14-15(9-12(11)2)26-19(22-14)24(7-5-6-23(3)4)18(25)13-10-16(20)27-17(13)21;/h8-10H,5-7H2,1-4H3;1H
• InChIKey: WGRRBVYNUYBYEQ-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.90
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride?

The IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride (CID 44932261) is 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride.

What is the SMILES notation for 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride?

The canonical SMILES for 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride is Cc1cc2nc(N(CCCN(C)C)C(=O)c3cc(Cl)sc3Cl)sc2cc1C.Cl.

What is the InChIKey of 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride?

The InChIKey is WGRRBVYNUYBYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3OS2.ClH/c1-11-8-14-15(9-12(11)2)26-19(22-14)24(7-5-6-23(3)4)18(25)13-10-16(20)27-17(13)21;/h8-10H,5-7H2,1-4H3;1H.

What are the key properties of 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride?

2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 478.90 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 44932261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).