2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

C18H21ClN4O2S2 — CID 46699831

About 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 46699831) has the molecular formula C18H21ClN4O2S2 and a molecular weight of 424.98 g/mol. Its IUPAC name is 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
• PubChem CID: 46699831
• Molecular Formula: C18H21ClN4O2S2
• Molecular Weight: 424.98 g/mol
• Exact Mass: 424.08
• IUPAC Name: 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
• SMILES: Cc1nc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)sc1CC(N)=O
• InChI: InChI=1S/C18H21ClN4O2S2/c1-12-15(10-16(20)24)27-18(21-12)26-11-17(25)23-7-5-22(6-8-23)14-4-2-3-13(19)9-14/h2-4,9H,5-8,10-11H2,1H3,(H2,20,24)
• InChIKey: GZIJXXZVNILCLM-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 79.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.98
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?

The IUPAC name of 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (CID 46699831) is 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

What is the SMILES notation for 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?

The canonical SMILES for 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)sc1CC(N)=O.

What is the InChIKey of 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?

The InChIKey is GZIJXXZVNILCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S2/c1-12-15(10-16(20)24)27-18(21-12)26-11-17(25)23-7-5-22(6-8-23)14-4-2-3-13(19)9-14/h2-4,9H,5-8,10-11H2,1H3,(H2,20,24).

What are the key properties of 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?

2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 424.98 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 46699831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).