2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid

C19H23N3O3S — CID 5350958

IUPAC2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H23N3O3S/c23-17(24)13-16-18(25)22(15-11-7-4-8-12-15)19(26-16)21-20-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,16H,1-3,5-6,9-10,13H2,(H,23,24)/b21-19-
InChIKeySUNHNCOUVBVRPZ-VZCXRCSSSA-N
MW373.48 g/mol
LogP4.07
Rot. Bonds4

About 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid

2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 5350958) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
PubChem CID5350958
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H23N3O3S/c23-17(24)13-16-18(25)22(15-11-7-4-8-12-15)19(26-16)21-20-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,16H,1-3,5-6,9-10,13H2,(H,23,24)/b21-19-
InChIKeySUNHNCOUVBVRPZ-VZCXRCSSSA-N
XLogP4.07
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
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

{(2E)-2-[(2Z)-(5-ethoxy-5-oxopentan-2-ylidene)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl}acetic acid
CID 6375668
[2-(Cycloheptylidene-hydrazono)-4-oxo-3-phenyl-thiazolidin-5-yl]-acetic acid
CID 6374050
(4-Oxo-3-phenyl-2-phenylimino-thiazolidin-5-yl)-acetic acid
CID 648360
((2Z)-2-{(2E)-[1-(4-methylphenyl)ethylidene]hydrazono}-4-oxo-3-phenyl-1,3-thiazolidin-5-yl)acetic acid
CID 9600069
2-(Cyclopentylimino)-4-oxo-3-phenyl-5-thiazolidineacetic acid
CID 217959
2-(Cyclopentylimino)-3-(p-iodophenyl)-4-oxo-5-thiazolidineacetic acid
CID 217962
2-(Cyclohexylimino)-4-oxo-3-phenyl-5-thiazolidineacetic acid
CID 217968
2-(Cyclohexylimino)-3-(p-iodophenyl)-4-oxo-5-thiazolidineacetic acid
CID 217970
[2-(Cyclohexylidenehydrazono)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 5991045
2-[2-(cyclooctylidenehydrazono)-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl]-N-phenylacetamide
CID 135426293
[2-(Cyclohexylimino)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 11573855
2-[(2E)-2-[(2E)-2-[1-(4-Acetamidophenyl)ethylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-YL]acetic acid
CID 135927116

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (CID 5350958) is 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is O=C(O)CC1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O.
What is the InChIKey of 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is SUNHNCOUVBVRPZ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-17(24)13-16-18(25)22(15-11-7-4-8-12-15)19(26-16)21-20-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,16H,1-3,5-6,9-10,13H2,(H,23,24)/b21-19-.
What are the key properties of 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 373.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 5350958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).