2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

C19H19Cl2F2N3OS2 — CID 44927731

About 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (PubChem CID 44927731) has the molecular formula C19H19Cl2F2N3OS2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
• PubChem CID: 44927731
• Molecular Formula: C19H19Cl2F2N3OS2
• Molecular Weight: 478.42 g/mol
• Exact Mass: 477.03
• IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
• SMILES: CN(C)CCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(F)cc(F)cc2s1.Cl
• InChI: InChI=1S/C19H18ClF2N3OS2.ClH/c1-24(2)7-8-25(17(26)11-27-14-5-3-12(20)4-6-14)19-23-18-15(22)9-13(21)10-16(18)28-19;/h3-6,9-10H,7-8,11H2,1-2H3;1H
• InChIKey: GPJMTDXMTBZQRQ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.42
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?

The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (CID 44927731) is 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.

What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?

The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is CN(C)CCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(F)cc(F)cc2s1.Cl.

What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?

The InChIKey is GPJMTDXMTBZQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3OS2.ClH/c1-24(2)7-8-25(17(26)11-27-14-5-3-12(20)4-6-14)19-23-18-15(22)9-13(21)10-16(18)28-19;/h3-6,9-10H,7-8,11H2,1-2H3;1H.

What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?

2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 478.42 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)sulfanyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 44927731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).