N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C23H30ClN3O4S — CID 16799100

About N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 16799100) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 16799100
• Molecular Formula: C23H30ClN3O4S
• Molecular Weight: 480.03 g/mol
• Exact Mass: 479.16
• IUPAC Name: N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: COc1cc(C(=O)N(CCCN(C)C)c2nc3c(C)cccc3s2)cc(OC)c1OC.Cl
• InChI: InChI=1S/C23H29N3O4S.ClH/c1-15-9-7-10-19-20(15)24-23(31-19)26(12-8-11-25(2)3)22(27)16-13-17(28-4)21(30-6)18(14-16)29-5;/h7,9-10,13-14H,8,11-12H2,1-6H3;1H
• InChIKey: KISGTMLPHUMPBE-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.03
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 16799100) is N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

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

The canonical SMILES for N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is COc1cc(C(=O)N(CCCN(C)C)c2nc3c(C)cccc3s2)cc(OC)c1OC.Cl.

What is the InChIKey of N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The InChIKey is KISGTMLPHUMPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S.ClH/c1-15-9-7-10-19-20(15)24-23(31-19)26(12-8-11-25(2)3)22(27)16-13-17(28-4)21(30-6)18(14-16)29-5;/h7,9-10,13-14H,8,11-12H2,1-6H3;1H.

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

N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 480.03 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 16799100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).