5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide

C12H12N2O3S — CID 104591174

IUPAC5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2cccc(O)c2)c1
InChIInChI=1S/C12H12N2O3S/c13-14-12(16)8-4-10(17-6-8)7-18-11-3-1-2-9(15)5-11/h1-6,15H,7,13H2,(H,14,16)
InChIKeyLZCVPEZRKUEXLL-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.88
Rot. Bonds4

About 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide

5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 104591174) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID104591174
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2cccc(O)c2)c1
InChIInChI=1S/C12H12N2O3S/c13-14-12(16)8-4-10(17-6-8)7-18-11-3-1-2-9(15)5-11/h1-6,15H,7,13H2,(H,14,16)
InChIKeyLZCVPEZRKUEXLL-UHFFFAOYSA-N
XLogP1.88
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581398
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580476
5-[(2-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63589044
5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580433
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352545
5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide
CID 63580672
5-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581701
5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580516
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352546
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 55212906
5-[(4-amino-3-methylphenyl)sulfanylmethyl]furan-3-carboxylic acid
CID 79148453
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581833

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 104591174) is 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1coc(CSc2cccc(O)c2)c1.
What is the InChIKey of 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is LZCVPEZRKUEXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-14-12(16)8-4-10(17-6-8)7-18-11-3-1-2-9(15)5-11/h1-6,15H,7,13H2,(H,14,16).
What are the key properties of 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide?
5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 264.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 104591174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).