N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide

C17H14N4O4S2 — CID 4759877

IUPACN'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
SMILESO=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)NNC(=O)c1ccncc1
InChIInChI=1S/C17H14N4O4S2/c22-14(19-20-15(23)11-3-6-18-7-4-11)5-8-21-16(24)13(27-17(21)26)10-12-2-1-9-25-12/h1-4,6-7,9-10H,5,8H2,(H,19,22)(H,20,23)
InChIKeyJLFQMBFPBSZNBF-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.73
Rot. Bonds5

About N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide

N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide (PubChem CID 4759877) has the molecular formula C17H14N4O4S2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
PubChem CID4759877
Molecular FormulaC17H14N4O4S2
Molecular Weight402.46 g/mol
Exact Mass402.05
IUPAC NameN'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
SMILESO=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)NNC(=O)c1ccncc1
InChIInChI=1S/C17H14N4O4S2/c22-14(19-20-15(23)11-3-6-18-7-4-11)5-8-21-16(24)13(27-17(21)26)10-12-2-1-9-25-12/h1-4,6-7,9-10H,5,8H2,(H,19,22)(H,20,23)
InChIKeyJLFQMBFPBSZNBF-UHFFFAOYSA-N
XLogP1.73
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]propanehydrazide
CID 4759896
N'-[4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide
CID 6204352
N'-[3-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-2-hydroxybenzohydrazide
CID 20995111
2-chloro-N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]benzohydrazide
CID 4759867
N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-2-methoxybenzohydrazide
CID 4759865
3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylpropanamide
CID 4759775
3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 7157799
3-[3-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]propanoic acid
CID 16629920
2-bromo-N'-[4-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide
CID 6204364
N-(4-acetylphenyl)-3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
CID 6204218
3-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoate
CID 7157783
N-(3-chlorophenyl)-3-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
CID 6204202

Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide (CID 4759877) is N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide is O=C(CCN1C(=O)C(=Cc2ccco2)SC1=S)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide?
The InChIKey is JLFQMBFPBSZNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S2/c22-14(19-20-15(23)11-3-6-18-7-4-11)5-8-21-16(24)13(27-17(21)26)10-12-2-1-9-25-12/h1-4,6-7,9-10H,5,8H2,(H,19,22)(H,20,23).
What are the key properties of N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide?
N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide has a molecular weight of 402.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 4759877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).