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

C17H19N3O3S — CID 4026971

IUPAC2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1SC(=NN=C2CCCCC2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H19N3O3S/c21-15(22)11-14-16(23)20(13-9-5-2-6-10-13)17(24-14)19-18-12-7-3-1-4-8-12/h2,5-6,9-10,14H,1,3-4,7-8,11H2,(H,21,22)
InChIKeyYGVUHDPOGGNSET-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.29
Rot. Bonds4

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

2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 4026971) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
PubChem CID4026971
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)CC1SC(=NN=C2CCCCC2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H19N3O3S/c21-15(22)11-14-16(23)20(13-9-5-2-6-10-13)17(24-14)19-18-12-7-3-1-4-8-12/h2,5-6,9-10,14H,1,3-4,7-8,11H2,(H,21,22)
InChIKeyYGVUHDPOGGNSET-UHFFFAOYSA-N
XLogP3.29
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.29
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-(Cyclooctylidenehydrazono)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 5350958
[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-[(Phenylmethylene)hydrazono]-4-oxo-3-phenyl-5-thiazolidineacetic acid
CID 44446887
2-[[(3-Methylphenyl)methylene]hydrazono]-4-oxo-3-phenyl-5-thiazolidineacetic acid
CID 44446892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (CID 4026971) is 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is O=C(O)CC1SC(=NN=C2CCCCC2)N(c2ccccc2)C1=O.
What is the InChIKey of 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is YGVUHDPOGGNSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-15(22)11-14-16(23)20(13-9-5-2-6-10-13)17(24-14)19-18-12-7-3-1-4-8-12/h2,5-6,9-10,14H,1,3-4,7-8,11H2,(H,21,22).
What are the key properties of 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 345.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 4026971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).