5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide

C9H10N4O3S — CID 55212906

IUPAC5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCc1nnc(SCc2cc(C(=O)NN)co2)o1
InChIInChI=1S/C9H10N4O3S/c1-5-12-13-9(16-5)17-4-7-2-6(3-15-7)8(14)11-10/h2-3H,4,10H2,1H3,(H,11,14)
InChIKeyDIRHIEUTZOHYFV-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.87
Rot. Bonds4

About 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide

5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 55212906) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID55212906
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCc1nnc(SCc2cc(C(=O)NN)co2)o1
InChIInChI=1S/C9H10N4O3S/c1-5-12-13-9(16-5)17-4-7-2-6(3-15-7)8(14)11-10/h2-3H,4,10H2,1H3,(H,11,14)
InChIKeyDIRHIEUTZOHYFV-UHFFFAOYSA-N
XLogP0.87
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-fluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzohydrazide
CID 107459054
5-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581833
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
CID 63736656
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580407
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
5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580516
5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 104591174
5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581398
5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66231207
methyl 5-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate
CID 167912762

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide (CID 55212906) is 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide is Cc1nnc(SCc2cc(C(=O)NN)co2)o1.
What is the InChIKey of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is DIRHIEUTZOHYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c1-5-12-13-9(16-5)17-4-7-2-6(3-15-7)8(14)11-10/h2-3H,4,10H2,1H3,(H,11,14).
What are the key properties of 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide?
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 254.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 55212906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).