N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide

C19H21Cl2N3OS2 — CID 41341192

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 41341192) has the molecular formula C19H21Cl2N3OS2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

• Compound Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
• PubChem CID: 41341192
• Molecular Formula: C19H21Cl2N3OS2
• Molecular Weight: 442.44 g/mol
• Exact Mass: 441.05
• IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide
• SMILES: Cc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)Cc3ccc(Cl)s3)nc12
• InChI: InChI=1S/C19H21Cl2N3OS2/c1-12-5-7-14(20)18-17(12)22-19(27-18)24(10-4-9-23(2)3)16(25)11-13-6-8-15(21)26-13/h5-8H,4,9-11H2,1-3H3
• InChIKey: SMYBQMWHRREQJS-UHFFFAOYSA-N
• XLogP: 5.50
• 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	442.44
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide?

The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide (CID 41341192) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide.

What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide?

The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide is Cc1ccc(Cl)c2sc(N(CCCN(C)C)C(=O)Cc3ccc(Cl)s3)nc12.

What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide?

The InChIKey is SMYBQMWHRREQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3OS2/c1-12-5-7-14(20)18-17(12)22-19(27-18)24(10-4-9-23(2)3)16(25)11-13-6-8-15(21)26-13/h5-8H,4,9-11H2,1-3H3.

What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide?

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 442.44 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 41341192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).