N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C21H26N4O4S — CID 55774566

About N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 55774566) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
• PubChem CID: 55774566
• Molecular Formula: C21H26N4O4S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.17
• IUPAC Name: N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
• SMILES: COc1ccc(C(=O)N2CCN(C(=O)Cc3csc(NC(=O)C(C)C)n3)CC2)cc1
• InChI: InChI=1S/C21H26N4O4S/c1-14(2)19(27)23-21-22-16(13-30-21)12-18(26)24-8-10-25(11-9-24)20(28)15-4-6-17(29-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3,(H,22,23,27)
• InChIKey: VFDPYFYLDFRRAE-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?

The IUPAC name of N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 55774566) is N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

What is the SMILES notation for N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?

The canonical SMILES for N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is COc1ccc(C(=O)N2CCN(C(=O)Cc3csc(NC(=O)C(C)C)n3)CC2)cc1.

What is the InChIKey of N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?

The InChIKey is VFDPYFYLDFRRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14(2)19(27)23-21-22-16(13-30-21)12-18(26)24-8-10-25(11-9-24)20(28)15-4-6-17(29-3)7-5-15/h4-7,13-14H,8-12H2,1-3H3,(H,22,23,27).

What are the key properties of N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?

N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 430.53 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55774566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).