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

C16H12N4O3S3 — CID 7658332

IUPACN'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide
SMILESO=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccncc1
InChIInChI=1S/C16H12N4O3S3/c21-13(18-19-14(22)10-3-5-17-6-4-10)9-20-15(23)12(26-16(20)24)8-11-2-1-7-25-11/h1-8H,9H2,(H,18,21)(H,19,22)/b12-8+
InChIKeyFHYIFFIYOMVGOF-XYOKQWHBSA-N
MW404.50 g/mol
LogP1.81
Rot. Bonds4

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

N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide (PubChem CID 7658332) has the molecular formula C16H12N4O3S3 and a molecular weight of 404.50 g/mol. Its IUPAC name is N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide
PubChem CID7658332
Molecular FormulaC16H12N4O3S3
Molecular Weight404.50 g/mol
Exact Mass404.01
IUPAC NameN'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide
SMILESO=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccncc1
InChIInChI=1S/C16H12N4O3S3/c21-13(18-19-14(22)10-3-5-17-6-4-10)9-20-15(23)12(26-16(20)24)8-11-2-1-7-25-11/h1-8H,9H2,(H,18,21)(H,19,22)/b12-8+
InChIKeyFHYIFFIYOMVGOF-XYOKQWHBSA-N
XLogP1.81
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.81
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

2-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N'-phenylacetohydrazide
CID 4759734
2-methoxy-N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]benzohydrazide
CID 6204146
3-[[2-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 3747577
N'-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide
CID 1364305
N-(3-imidazol-1-ylpropyl)-2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 6237218
2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(4-phenylphenyl)acetamide
CID 6204106
N-(1-adamantyl)-2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 7344319
N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]pyridine-4-carbohydrazide
CID 4759877
N-(2,4-dichlorophenyl)-2-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 3981782
N'-[6-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoyl]pyridine-4-carbohydrazide
CID 4759029
(5E)-3-(2-oxo-2-piperidin-1-ylethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 7344287
N'-[4-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]pyridine-4-carbohydrazide
CID 20995076

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide (CID 7658332) is N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide is O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccncc1.
What is the InChIKey of N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide?
The InChIKey is FHYIFFIYOMVGOF-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H12N4O3S3/c21-13(18-19-14(22)10-3-5-17-6-4-10)9-20-15(23)12(26-16(20)24)8-11-2-1-7-25-11/h1-8H,9H2,(H,18,21)(H,19,22)/b12-8+.
What are the key properties of N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide?
N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide has a molecular weight of 404.50 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 7658332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).