N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide

C12H19N3O3S — CID 9327202

IUPACN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide
SMILESO=C(CN1CSCC1=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C12H19N3O3S/c16-10(6-15-8-19-7-11(15)17)13-14-12(18)9-4-2-1-3-5-9/h9H,1-8H2,(H,13,16)(H,14,18)
InChIKeyVKZKIOMYPAHLTA-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.25
Rot. Bonds3

About N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide

N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide (PubChem CID 9327202) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide
PubChem CID9327202
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide
SMILESO=C(CN1CSCC1=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C12H19N3O3S/c16-10(6-15-8-19-7-11(15)17)13-14-12(18)9-4-2-1-3-5-9/h9H,1-8H2,(H,13,16)(H,14,18)
InChIKeyVKZKIOMYPAHLTA-UHFFFAOYSA-N
XLogP0.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide (CID 9327202) is N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide is O=C(CN1CSCC1=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide?
The InChIKey is VKZKIOMYPAHLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-10(6-15-8-19-7-11(15)17)13-14-12(18)9-4-2-1-3-5-9/h9H,1-8H2,(H,13,16)(H,14,18).
What are the key properties of N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide?
N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide has a molecular weight of 285.37 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 9327202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).