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

C14H16N4O3S2 — CID 9332113

IUPACN'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide
SMILESO=C(CCCCN1C(=O)CSC1=S)NNC(=O)c1ccccn1
InChIInChI=1S/C14H16N4O3S2/c19-11(16-17-13(21)10-5-1-3-7-15-10)6-2-4-8-18-12(20)9-23-14(18)22/h1,3,5,7H,2,4,6,8-9H2,(H,16,19)(H,17,21)
InChIKeyFFNCUKKZODQTFZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP0.87
Rot. Bonds6

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

N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide (PubChem CID 9332113) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide
PubChem CID9332113
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC NameN'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide
SMILESO=C(CCCCN1C(=O)CSC1=S)NNC(=O)c1ccccn1
InChIInChI=1S/C14H16N4O3S2/c19-11(16-17-13(21)10-5-1-3-7-15-10)6-2-4-8-18-12(20)9-23-14(18)22/h1,3,5,7H,2,4,6,8-9H2,(H,16,19)(H,17,21)
InChIKeyFFNCUKKZODQTFZ-UHFFFAOYSA-N
XLogP0.87
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide
CID 9220858
4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide
CID 9340752
N'-[2-(2-fluorophenoxy)acetyl]-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanehydrazide
CID 9471930
5-chloro-2-methoxy-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide
CID 9472330
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[(1S)-1-phenylethyl]hexanamide
CID 9315278
N'-pentanoylpyridine-2-carbohydrazide
CID 29259706
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide
CID 9159820
N'-[2-(1-adamantyl)acetyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanehydrazide
CID 9475103
N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9411691
3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14365442
N-[(2,4-dichlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 9218180
methyl 4-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoylamino]benzoate
CID 9413559

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide (CID 9332113) is N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide is O=C(CCCCN1C(=O)CSC1=S)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide?
The InChIKey is FFNCUKKZODQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c19-11(16-17-13(21)10-5-1-3-7-15-10)6-2-4-8-18-12(20)9-23-14(18)22/h1,3,5,7H,2,4,6,8-9H2,(H,16,19)(H,17,21).
What are the key properties of N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide?
N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide has a molecular weight of 352.44 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9332113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).