2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid

C19H14Cl2N2O4S — CID 27430496

IUPAC2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
SMILESCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N/c1ccc(O)cc1C(=O)O
InChIInChI=1S/C19H14Cl2N2O4S/c1-2-23-17(25)16(9-11-13(20)4-3-5-14(11)21)28-19(23)22-15-7-6-10(24)8-12(15)18(26)27/h3-9,24H,2H2,1H3,(H,26,27)/b16-9-,22-19+
InChIKeyKWERLCNBZABFJP-YSHZOFOISA-N
MW437.30 g/mol
LogP5.02
Rot. Bonds4

About 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid

2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid (PubChem CID 27430496) has the molecular formula C19H14Cl2N2O4S and a molecular weight of 437.30 g/mol. Its IUPAC name is 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
PubChem CID27430496
Molecular FormulaC19H14Cl2N2O4S
Molecular Weight437.30 g/mol
Exact Mass436.01
IUPAC Name2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
SMILESCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N/c1ccc(O)cc1C(=O)O
InChIInChI=1S/C19H14Cl2N2O4S/c1-2-23-17(25)16(9-11-13(20)4-3-5-14(11)21)28-19(23)22-15-7-6-10(24)8-12(15)18(26)27/h3-9,24H,2H2,1H3,(H,26,27)/b16-9-,22-19+
InChIKeyKWERLCNBZABFJP-YSHZOFOISA-N
XLogP5.02
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.30
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 27430409
2-[[(5Z)-5-[[4-(2-carboxyethoxy)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 27430586
2-[[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 27429662
5-hydroxy-2-[[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27429602
2-[[(5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27433580
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27435567
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842290
(5Z)-5-[(2-chlorophenyl)methylidene]-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27436574
2-[[(5Z)-3-ethyl-4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27433589
5-hydroxy-2-[[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27429676
2-[[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 27429613
(5E)-2-(4-chlorophenyl)imino-3-ethyl-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486703

Frequently Asked Questions

What is the IUPAC name of 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid (CID 27430496) is 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid is CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N/c1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid?
The InChIKey is KWERLCNBZABFJP-YSHZOFOISA-N. The full InChI is InChI=1S/C19H14Cl2N2O4S/c1-2-23-17(25)16(9-11-13(20)4-3-5-14(11)21)28-19(23)22-15-7-6-10(24)8-12(15)18(26)27/h3-9,24H,2H2,1H3,(H,26,27)/b16-9-,22-19+.
What are the key properties of 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid?
2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid has a molecular weight of 437.30 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 27430496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).