N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C23H24N4O3S — CID 38601875

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

N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 38601875) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 38601875
• Molecular Formula: C23H24N4O3S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.16
• IUPAC Name: N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
• SMILES: COc1cccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccccc4)n3)CC2)c1
• InChI: InChI=1S/C23H24N4O3S/c1-30-20-9-5-8-19(15-20)26-10-12-27(13-11-26)21(28)14-18-16-31-23(24-18)25-22(29)17-6-3-2-4-7-17/h2-9,15-16H,10-14H2,1H3,(H,24,25,29)
• InChIKey: QROSBEDGKNKODG-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 38601875) is N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

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

The canonical SMILES for N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is COc1cccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccccc4)n3)CC2)c1.

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

The InChIKey is QROSBEDGKNKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-30-20-9-5-8-19(15-20)26-10-12-27(13-11-26)21(28)14-18-16-31-23(24-18)25-22(29)17-6-3-2-4-7-17/h2-9,15-16H,10-14H2,1H3,(H,24,25,29).

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

N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 436.54 g/mol, XLogP of 3.30, 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-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 38601875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).