5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide

C12H13N3O2S — CID 63582387

IUPAC5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSc2ccccc2N)o1
InChIInChI=1S/C12H13N3O2S/c13-9-3-1-2-4-11(9)18-7-8-5-6-10(17-8)12(16)15-14/h1-6H,7,13-14H2,(H,15,16)
InChIKeyRGSBUICJUVFFRI-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.76
Rot. Bonds4

About 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide

5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide (PubChem CID 63582387) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
PubChem CID63582387
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSc2ccccc2N)o1
InChIInChI=1S/C12H13N3O2S/c13-9-3-1-2-4-11(9)18-7-8-5-6-10(17-8)12(16)15-14/h1-6H,7,13-14H2,(H,15,16)
InChIKeyRGSBUICJUVFFRI-UHFFFAOYSA-N
XLogP1.76
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580707
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55213514
methyl 5-[(2-amino-3-methylphenyl)sulfanylmethyl]furan-2-carboxylate
CID 79146730
5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63590097
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580705
5-(cyclohexylsulfanylmethyl)furan-2-carbohydrazide
CID 63582723

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide (CID 63582387) is 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide is NNC(=O)c1ccc(CSc2ccccc2N)o1.
What is the InChIKey of 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide?
The InChIKey is RGSBUICJUVFFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-9-3-1-2-4-11(9)18-7-8-5-6-10(17-8)12(16)15-14/h1-6H,7,13-14H2,(H,15,16).
What are the key properties of 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide?
5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide has a molecular weight of 263.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide is sourced from PubChem (CID 63582387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).