4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide

C13H12F2N2O2S — CID 63582698

IUPAC4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CSc1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2O2S/c1-7-8(4-11(19-7)13(18)17-16)6-20-12-3-2-9(14)5-10(12)15/h2-5H,6,16H2,1H3,(H,17,18)
InChIKeyANXPQTVWRAUOJN-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.76
Rot. Bonds4

About 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide

4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63582698) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
PubChem CID63582698
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CSc1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2O2S/c1-7-8(4-11(19-7)13(18)17-16)6-20-12-3-2-9(14)5-10(12)15/h2-5H,6,16H2,1H3,(H,17,18)
InChIKeyANXPQTVWRAUOJN-UHFFFAOYSA-N
XLogP2.76
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.76
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

4-[(2,5-dichlorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580050
5-methyl-4-[(5-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63590649
5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63581065
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63580891
4-[(4-amino-2-chlorophenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 55054156
4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 55214476
4-[(2,4-difluorophenyl)sulfanylmethyl]-3-methylbenzoic acid
CID 114485858
4-[(3-amino-2-methylphenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 79143661
3-[(2,4-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43244559
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63574464
4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide
CID 63582745
4-[(2-chlorophenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 22687747

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide (CID 63582698) is 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CSc1ccc(F)cc1F.
What is the InChIKey of 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is ANXPQTVWRAUOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-7-8(4-11(19-7)13(18)17-16)6-20-12-3-2-9(14)5-10(12)15/h2-5H,6,16H2,1H3,(H,17,18).
What are the key properties of 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide?
4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 298.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)sulfanylmethyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63582698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).