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

C23H30N4OS — CID 7489912

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

4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7489912) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 7489912
• Molecular Formula: C23H30N4OS
• Molecular Weight: 410.59 g/mol
• Exact Mass: 410.21
• IUPAC Name: 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
• SMILES: Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)c3ccc(N(C)C)cc3)nc2c1
• InChI: InChI=1S/C23H30N4OS/c1-16-14-17(2)21-20(15-16)24-23(29-21)27(13-7-12-25(3)4)22(28)18-8-10-19(11-9-18)26(5)6/h8-11,14-15H,7,12-13H2,1-6H3
• InChIKey: POYHJLVWJFZGJM-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 39.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.59
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 7489912) is 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.

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

The canonical SMILES for 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)c3ccc(N(C)C)cc3)nc2c1.

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

The InChIKey is POYHJLVWJFZGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4OS/c1-16-14-17(2)21-20(15-16)24-23(29-21)27(13-7-12-25(3)4)22(28)18-8-10-19(11-9-18)26(5)6/h8-11,14-15H,7,12-13H2,1-6H3.

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

4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 410.59 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7489912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).