N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide

C₁₁H₁₂N₄O₂S — CID 135988105

About N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide

N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide (PubChem CID 135988105) has the molecular formula C₁₁H₁₂N₄O₂S and a molecular weight of 264.31 g/mol. Its IUPAC name is N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide.

Molecular Properties

• Compound Name: N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide
• PubChem CID: 135988105
• Molecular Formula: C₁₁H₁₂N₄O₂S
• Molecular Weight: 264.31 g/mol
• Exact Mass: 264.07
• IUPAC Name: N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide
• SMILES: Cc1ccc(Nc2s[nH]c(=O)c2/C(N)=N/O)cc1
• InChI: InChI=1S/C11H12N4O2S/c1-6-2-4-7(5-3-6)13-11-8(9(12)14-17)10(16)15-18-11/h2-5,13,17H,1H3,(H2,12,14)(H,15,16)
• InChIKey: ABPNIXLAGUMYGJ-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 103.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.31
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide?

The IUPAC name of N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide (CID 135988105) is N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide.

What is the SMILES notation for N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide?

The canonical SMILES for N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide is Cc1ccc(Nc2s[nH]c(=O)c2/C(N)=N/O)cc1.

What is the InChIKey of N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide?

The InChIKey is ABPNIXLAGUMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6-2-4-7(5-3-6)13-11-8(9(12)14-17)10(16)15-18-11/h2-5,13,17H,1H3,(H2,12,14)(H,15,16).

What are the key properties of N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide?

N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide has a molecular weight of 264.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-hydroxy-5-(4-methylanilino)-3-oxo-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 135988105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135988105 — identifiers, structure, computed properties (public domain)

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