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

C17H18N4O2S2 — CID 22971008

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

2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 22971008) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide
• PubChem CID: 22971008
• Molecular Formula: C17H18N4O2S2
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.09
• IUPAC Name: 2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide
• SMILES: CCc1cnc(CSc2cnc(NC(=O)C(N)c3ccccc3)s2)o1
• InChI: InChI=1S/C17H18N4O2S2/c1-2-12-8-19-13(23-12)10-24-14-9-20-17(25-14)21-16(22)15(18)11-6-4-3-5-7-11/h3-9,15H,2,10,18H2,1H3,(H,20,21,22)
• InChIKey: YIJPRFFRUWBRMK-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide (CID 22971008) is 2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide.

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

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

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

The InChIKey is YIJPRFFRUWBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-2-12-8-19-13(23-12)10-24-14-9-20-17(25-14)21-16(22)15(18)11-6-4-3-5-7-11/h3-9,15H,2,10,18H2,1H3,(H,20,21,22).

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

2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 374.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 22971008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).