N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide

C29H28N4O2S2 — CID 3285480

About N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide (PubChem CID 3285480) has the molecular formula C29H28N4O2S2 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
• PubChem CID: 3285480
• Molecular Formula: C29H28N4O2S2
• Molecular Weight: 528.70 g/mol
• Exact Mass: 528.17
• IUPAC Name: N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
• SMILES: O=C(CSCC(=O)N1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
• InChI: InChI=1S/C29H28N4O2S2/c34-25(20-36-21-26(35)33-18-16-32(17-19-33)24-14-8-3-9-15-24)30-29-31-27(22-10-4-1-5-11-22)28(37-29)23-12-6-2-7-13-23/h1-15H,16-21H2,(H,30,31,34)
• InChIKey: UMUYBEOHRSJIQK-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.70
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide?

The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide (CID 3285480) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide.

What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide?

The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide is O=C(CSCC(=O)N1CCN(c2ccccc2)CC1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.

What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide?

The InChIKey is UMUYBEOHRSJIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2S2/c34-25(20-36-21-26(35)33-18-16-32(17-19-33)24-14-8-3-9-15-24)30-29-31-27(22-10-4-1-5-11-22)28(37-29)23-12-6-2-7-13-23/h1-15H,16-21H2,(H,30,31,34).

What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide?

N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide has a molecular weight of 528.70 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 3285480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).