2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide

C12H10F2N2O2S — CID 63580649

IUPAC2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1cc(F)ccc1F
InChIInChI=1S/C12H10F2N2O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyYYPHHXLZGJNUJO-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.45
Rot. Bonds4

About 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide

2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63580649) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63580649
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1cc(F)ccc1F
InChIInChI=1S/C12H10F2N2O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17)
InChIKeyYYPHHXLZGJNUJO-UHFFFAOYSA-N
XLogP2.45
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.45
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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Related Compounds

2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 55214856
2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581577
2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79141494
2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79533926
5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63581387
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581538
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
2-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66228175
2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66233707
2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63577745
5-[(2,5-difluorophenyl)sulfanylmethyl]-2-fluorobenzoic acid
CID 107881371
5-(2,5-difluorophenyl)sulfanylpentanehydrazide
CID 55215054

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 63580649) is 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is YYPHHXLZGJNUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,15H2,(H,16,17).
What are the key properties of 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 284.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63580649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).