RJPDXHSTTHPIHG-GIDUJCDVSA-N

C₁₀H₁₁F₃N₂OS₂ — CID 151726081

About RJPDXHSTTHPIHG-GIDUJCDVSA-N

RJPDXHSTTHPIHG-GIDUJCDVSA-N (PubChem CID 151726081) has the molecular formula C₁₀H₁₁F₃N₂OS₂ and a molecular weight of 296.34 g/mol. Its IUPAC name is (E)-N-ethoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazol-5-yl]methanimine.

Molecular Properties

• Compound Name: RJPDXHSTTHPIHG-GIDUJCDVSA-N
• PubChem CID: 151726081
• Molecular Formula: C₁₀H₁₁F₃N₂OS₂
• Molecular Weight: 296.34 g/mol
• Exact Mass: 296.03
• IUPAC Name: (E)-N-ethoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazol-5-yl]methanimine
• SMILES: CCO/N=C/c1cnc(SCCC(F)=C(F)F)s1
• InChI: InChI=1S/C10H11F3N2OS2/c1-2-16-15-6-7-5-14-10(18-7)17-4-3-8(11)9(12)13/h5-6H,2-4H2,1H3/b15-6+
• InChIKey: RJPDXHSTTHPIHG-GIDUJCDVSA-N
• XLogP: 4.07
• TPSA: 34.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.34
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of RJPDXHSTTHPIHG-GIDUJCDVSA-N?

The IUPAC name of RJPDXHSTTHPIHG-GIDUJCDVSA-N (CID 151726081) is (E)-N-ethoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazol-5-yl]methanimine.

What is the SMILES notation for RJPDXHSTTHPIHG-GIDUJCDVSA-N?

The canonical SMILES for RJPDXHSTTHPIHG-GIDUJCDVSA-N is CCO/N=C/c1cnc(SCCC(F)=C(F)F)s1.

What is the InChIKey of RJPDXHSTTHPIHG-GIDUJCDVSA-N?

The InChIKey is RJPDXHSTTHPIHG-GIDUJCDVSA-N. The full InChI is InChI=1S/C10H11F3N2OS2/c1-2-16-15-6-7-5-14-10(18-7)17-4-3-8(11)9(12)13/h5-6H,2-4H2,1H3/b15-6+.

What are the key properties of RJPDXHSTTHPIHG-GIDUJCDVSA-N?

RJPDXHSTTHPIHG-GIDUJCDVSA-N has a molecular weight of 296.34 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for RJPDXHSTTHPIHG-GIDUJCDVSA-N is sourced from PubChem (CID 151726081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151726081 — identifiers, structure, computed properties (public domain)

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