2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C14H23N3O3S — CID 135515784

IUPAC2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCCCCC(CCCC)=NN=C1NC(=O)C(CC(=O)O)S1
InChIInChI=1S/C14H23N3O3S/c1-3-5-7-10(8-6-4-2)16-17-14-15-13(20)11(21-14)9-12(18)19/h11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyZXEBKQYDKVBXKM-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.79
Rot. Bonds9

About 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 135515784) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID135515784
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCCCCC(CCCC)=NN=C1NC(=O)C(CC(=O)O)S1
InChIInChI=1S/C14H23N3O3S/c1-3-5-7-10(8-6-4-2)16-17-14-15-13(20)11(21-14)9-12(18)19/h11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyZXEBKQYDKVBXKM-UHFFFAOYSA-N
XLogP2.79
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-[(E)-1-(4-hydroxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135897268
2-[(2Z,5S)-2-[(Z)-1-(1-adamantyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136892736
2-[(2Z)-2-[(E)-1-(4-ethylphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135531551
2-[(2E,5S)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135845629
2-[(2E,5R)-2-[(4-ethylcyclohexylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135831019
2-[(2E)-2-[(Z)-1-(2,4-dihydroxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135589085
2-[(2E,5R)-4-oxo-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 136831671
2-[(2Z,5S)-4-oxo-2-[(Z)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 135831025
2-[2-[1-[4-(4-ethoxy-4-oxobutyl)phenyl]ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136914450
2-[(2E)-2-[(E)-(2-butoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135927021
2-[2-[(4-butylsulfanylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620226
2-[(2Z,5R)-2-[(Z)-butan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135568896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 135515784) is 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is CCCCC(CCCC)=NN=C1NC(=O)C(CC(=O)O)S1.
What is the InChIKey of 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is ZXEBKQYDKVBXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-5-7-10(8-6-4-2)16-17-14-15-13(20)11(21-14)9-12(18)19/h11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20).
What are the key properties of 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 313.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(nonan-5-ylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 135515784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).