5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide

C16H14N2O2S — CID 63581398

IUPAC5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H14N2O2S/c17-18-16(19)13-7-14(20-9-13)10-21-15-6-5-11-3-1-2-4-12(11)8-15/h1-9H,10,17H2,(H,18,19)
InChIKeyPCLFZGQWRLGEJH-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.33
Rot. Bonds4

About 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide

5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 63581398) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID63581398
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H14N2O2S/c17-18-16(19)13-7-14(20-9-13)10-21-15-6-5-11-3-1-2-4-12(11)8-15/h1-9H,10,17H2,(H,18,19)
InChIKeyPCLFZGQWRLGEJH-UHFFFAOYSA-N
XLogP3.33
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.33
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

5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580433
5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 104591174
5-[(2-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63589044
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580476
5-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581701
5-[(4-amino-3-methylphenyl)sulfanylmethyl]furan-3-carboxylic acid
CID 79148453
5-(2-hydroxyethylsulfanylmethyl)furan-3-carbohydrazide
CID 63580672
5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580516
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 55212906
ethane;naphthalene-2-carbohydrazide
CID 91601372
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581833
5-(phenylmethoxymethyl)furan-3-carbohydrazide
CID 55213199

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide (CID 63581398) is 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1coc(CSc2ccc3ccccc3c2)c1.
What is the InChIKey of 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is PCLFZGQWRLGEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-18-16(19)13-7-14(20-9-13)10-21-15-6-5-11-3-1-2-4-12(11)8-15/h1-9H,10,17H2,(H,18,19).
What are the key properties of 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide?
5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 298.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63581398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).