3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C24H35N3O4S — CID 108750793

About 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 108750793) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 108750793
• Molecular Formula: C24H35N3O4S
• Molecular Weight: 461.63 g/mol
• Exact Mass: 461.23
• IUPAC Name: 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CCOc1cc(C(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)cc(OCC)c1OCC
• InChI: InChI=1S/C24H35N3O4S/c1-6-29-19-13-18(14-20(30-7-2)22(19)31-8-3)23(28)26-24-25-17(5)21(32-24)15-27-11-9-16(4)10-12-27/h13-14,16H,6-12,15H2,1-5H3,(H,25,26,28)
• InChIKey: FLOLJLLNPMMCHY-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.63
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 108750793) is 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is CCOc1cc(C(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)cc(OCC)c1OCC.

What is the InChIKey of 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is FLOLJLLNPMMCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-6-29-19-13-18(14-20(30-7-2)22(19)31-8-3)23(28)26-24-25-17(5)21(32-24)15-27-11-9-16(4)10-12-27/h13-14,16H,6-12,15H2,1-5H3,(H,25,26,28).

What are the key properties of 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?

3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 461.63 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 108750793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).