5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide

C12H11FN2O2S — CID 55212122

IUPAC5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2ccc(F)cc2)c1
InChIInChI=1S/C12H11FN2O2S/c13-9-1-3-11(4-2-9)18-7-10-5-8(6-17-10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeyDNKBXEKRTPLQBY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.31
Rot. Bonds4

About 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide

5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 55212122) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID55212122
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2ccc(F)cc2)c1
InChIInChI=1S/C12H11FN2O2S/c13-9-1-3-11(4-2-9)18-7-10-5-8(6-17-10)12(16)15-14/h1-6H,7,14H2,(H,15,16)
InChIKeyDNKBXEKRTPLQBY-UHFFFAOYSA-N
XLogP2.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 55212122) is 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1coc(CSc2ccc(F)cc2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is DNKBXEKRTPLQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-1-3-11(4-2-9)18-7-10-5-8(6-17-10)12(16)15-14/h1-6H,7,14H2,(H,15,16).
What are the key properties of 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 266.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 55212122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).