2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

C20H21Cl2N3OS — CID 41344486

About 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41344486) has the molecular formula C20H21Cl2N3OS and a molecular weight of 422.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 41344486
• Molecular Formula: C20H21Cl2N3OS
• Molecular Weight: 422.38 g/mol
• Exact Mass: 421.08
• IUPAC Name: 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
• SMILES: Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(Cl)cc3Cl)nc2c1
• InChI: InChI=1S/C20H21Cl2N3OS/c1-12-9-13(2)18-17(10-12)23-20(27-18)25(8-7-24(3)4)19(26)15-6-5-14(21)11-16(15)22/h5-6,9-11H,7-8H2,1-4H3
• InChIKey: QYDVVOAHIZSQJL-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.38
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 41344486) is 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(Cl)cc3Cl)nc2c1.

What is the InChIKey of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is QYDVVOAHIZSQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3OS/c1-12-9-13(2)18-17(10-12)23-20(27-18)25(8-7-24(3)4)19(26)15-6-5-14(21)11-16(15)22/h5-6,9-11H,7-8H2,1-4H3.

What are the key properties of 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?

2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 422.38 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41344486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).