1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one

C19H20N2O2S2 — CID 59962050

About 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one

1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one (PubChem CID 59962050) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one.

Molecular Properties

• Compound Name: 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one
• PubChem CID: 59962050
• Molecular Formula: C19H20N2O2S2
• Molecular Weight: 372.52 g/mol
• Exact Mass: 372.10
• IUPAC Name: 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one
• SMILES: CCc1cnc(CSc2cnc(CC(=O)C(C)c3ccccc3)s2)o1
• InChI: InChI=1S/C19H20N2O2S2/c1-3-15-10-20-17(23-15)12-24-19-11-21-18(25-19)9-16(22)13(2)14-7-5-4-6-8-14/h4-8,10-11,13H,3,9,12H2,1-2H3
• InChIKey: FPOYONRJHZADLH-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 55.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.52
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one (CID 59962050) is 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one.

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

The canonical SMILES for 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one is CCc1cnc(CSc2cnc(CC(=O)C(C)c3ccccc3)s2)o1.

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

The InChIKey is FPOYONRJHZADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-3-15-10-20-17(23-15)12-24-19-11-21-18(25-19)9-16(22)13(2)14-7-5-4-6-8-14/h4-8,10-11,13H,3,9,12H2,1-2H3.

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

1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one has a molecular weight of 372.52 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-phenylbutan-2-one is sourced from PubChem (CID 59962050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).