2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine

C14H13FN4S — CID 10589437

IUPAC2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN4S/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-18-19-14(16)17/h1-9H,(H4,16,17,19)/b18-9+
InChIKeyIASUPQMIVRPJCO-GIJQJNRQSA-N
MW288.35 g/mol
LogP2.58
Rot. Bonds4

About 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine

2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine (PubChem CID 10589437) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine
PubChem CID10589437
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN4S/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-18-19-14(16)17/h1-9H,(H4,16,17,19)/b18-9+
InChIKeyIASUPQMIVRPJCO-GIJQJNRQSA-N
XLogP2.58
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine (CID 10589437) is 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine is NC(N)=N/N=C/c1ccc(Sc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine?
The InChIKey is IASUPQMIVRPJCO-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H13FN4S/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-18-19-14(16)17/h1-9H,(H4,16,17,19)/b18-9+.
What are the key properties of 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine?
2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine has a molecular weight of 288.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(4-fluorophenyl)sulfanylphenyl]methylideneamino]guanidine is sourced from PubChem (CID 10589437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).