N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride

C20H24Cl3N3OS2 — CID 44919521

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride (PubChem CID 44919521) has the molecular formula C20H24Cl3N3OS2 and a molecular weight of 492.93 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
• PubChem CID: 44919521
• Molecular Formula: C20H24Cl3N3OS2
• Molecular Weight: 492.93 g/mol
• Exact Mass: 491.04
• IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
• SMILES: CCN(CC)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2c(C)c(Cl)ccc2s1.Cl
• InChI: InChI=1S/C20H23Cl2N3OS2.ClH/c1-4-24(5-2)10-11-25(18(26)12-14-6-9-17(22)27-14)20-23-19-13(3)15(21)7-8-16(19)28-20;/h6-9H,4-5,10-12H2,1-3H3;1H
• InChIKey: NSPUQZZKUKVAIZ-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.93
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride?

The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride (CID 44919521) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride.

What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride?

The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride is CCN(CC)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2c(C)c(Cl)ccc2s1.Cl.

What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride?

The InChIKey is NSPUQZZKUKVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3OS2.ClH/c1-4-24(5-2)10-11-25(18(26)12-14-6-9-17(22)27-14)20-23-19-13(3)15(21)7-8-16(19)28-20;/h6-9H,4-5,10-12H2,1-3H3;1H.

What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride?

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 492.93 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 44919521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).