2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide

C20H24ClN3OS2 — CID 41341198

About 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide

2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41341198) has the molecular formula C20H24ClN3OS2 and a molecular weight of 422.02 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 41341198
• Molecular Formula: C20H24ClN3OS2
• Molecular Weight: 422.02 g/mol
• Exact Mass: 421.10
• IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
• SMILES: Cc1ccc2sc(N(CCCN(C)C)C(=O)Cc3ccc(Cl)s3)nc2c1C
• InChI: InChI=1S/C20H24ClN3OS2/c1-13-6-8-16-19(14(13)2)22-20(27-16)24(11-5-10-23(3)4)18(25)12-15-7-9-17(21)26-15/h6-9H,5,10-12H2,1-4H3
• InChIKey: IKBBCLFMTJDEQD-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.02
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide (CID 41341198) is 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2sc(N(CCCN(C)C)C(=O)Cc3ccc(Cl)s3)nc2c1C.

What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is IKBBCLFMTJDEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS2/c1-13-6-8-16-19(14(13)2)22-20(27-16)24(11-5-10-23(3)4)18(25)12-15-7-9-17(21)26-15/h6-9H,5,10-12H2,1-4H3.

What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide?

2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 422.02 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41341198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).