3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide

C13H13N3O3S — CID 63578144

IUPAC3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1oc2ccccc2c1CN1CCSC1=O
InChIInChI=1S/C13H13N3O3S/c14-15-12(17)11-9(7-16-5-6-20-13(16)18)8-3-1-2-4-10(8)19-11/h1-4H,5-7,14H2,(H,15,17)
InChIKeyOIAMTRJQWKNUPR-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.71
Rot. Bonds3

About 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide

3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 63578144) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide
PubChem CID63578144
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1oc2ccccc2c1CN1CCSC1=O
InChIInChI=1S/C13H13N3O3S/c14-15-12(17)11-9(7-16-5-6-20-13(16)18)8-3-1-2-4-10(8)19-11/h1-4H,5-7,14H2,(H,15,17)
InChIKeyOIAMTRJQWKNUPR-UHFFFAOYSA-N
XLogP1.71
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63581675
3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 103540514
3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63579425
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63573735
3-[(4-methylpyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578332
3-[(2-oxoazepan-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 28943253
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63571784
3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide
CID 116793809
3-[(3-methyl-2-oxopiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 104679851
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63959061
3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63574192

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide (CID 63578144) is 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide is NNC(=O)c1oc2ccccc2c1CN1CCSC1=O.
What is the InChIKey of 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is OIAMTRJQWKNUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-15-12(17)11-9(7-16-5-6-20-13(16)18)8-3-1-2-4-10(8)19-11/h1-4H,5-7,14H2,(H,15,17).
What are the key properties of 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide?
3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 291.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 63578144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).