2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide

C17H16ClN3O2S2 — CID 22970918

About 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide

2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22970918) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 22970918
• Molecular Formula: C17H16ClN3O2S2
• Molecular Weight: 393.92 g/mol
• Exact Mass: 393.04
• IUPAC Name: 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CCc1cnc(CSc2cnc(NC(=O)Cc3ccccc3Cl)s2)o1
• InChI: InChI=1S/C17H16ClN3O2S2/c1-2-12-8-19-15(23-12)10-24-16-9-20-17(25-16)21-14(22)7-11-5-3-4-6-13(11)18/h3-6,8-9H,2,7,10H2,1H3,(H,20,21,22)
• InChIKey: XVXWOQBAZSKMHU-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.92
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22970918) is 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CCc1cnc(CSc2cnc(NC(=O)Cc3ccccc3Cl)s2)o1.

What is the InChIKey of 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is XVXWOQBAZSKMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-2-12-8-19-15(23-12)10-24-16-9-20-17(25-16)21-14(22)7-11-5-3-4-6-13(11)18/h3-6,8-9H,2,7,10H2,1H3,(H,20,21,22).

What are the key properties of 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?

2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 393.92 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22970918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).