N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide

C₁₂H₁₁N₃O₃S — CID 45000900

About N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 45000900) has the molecular formula C₁₂H₁₁N₃O₃S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
• PubChem CID: 45000900
• Molecular Formula: C₁₂H₁₁N₃O₃S
• Molecular Weight: 277.31 g/mol
• Exact Mass: 277.05
• IUPAC Name: N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
• SMILES: COc1ccc(NC(=O)C(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C12H11N3O3S/c1-18-9-4-2-8(3-5-9)14-10(16)11(17)15-12-13-6-7-19-12/h2-7H,1H3,(H,14,16)(H,13,15,17)
• InChIKey: FXKUCLVGRBOQKI-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.31
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide?

The IUPAC name of N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 45000900) is N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide.

What is the SMILES notation for N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide?

The canonical SMILES for N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide is COc1ccc(NC(=O)C(=O)Nc2nccs2)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide?

The InChIKey is FXKUCLVGRBOQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-18-9-4-2-8(3-5-9)14-10(16)11(17)15-12-13-6-7-19-12/h2-7H,1H3,(H,14,16)(H,13,15,17).

What are the key properties of N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide?

N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 277.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 45000900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 45000900 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.