5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C16H11N3O3S — CID 2852002

IUPAC5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cc(/N=N/c3ccccc3)ccc2O)S1
InChIInChI=1S/C16H11N3O3S/c20-13-7-6-12(19-18-11-4-2-1-3-5-11)8-10(13)9-14-15(21)17-16(22)23-14/h1-9,20H,(H,17,21,22)/b14-9?,19-18+
InChIKeyFWGNIJGEUMAROS-LSAUVPQNSA-N
MW325.35 g/mol
LogP4.13
Rot. Bonds3

About 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 2852002) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID2852002
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC Name5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cc(/N=N/c3ccccc3)ccc2O)S1
InChIInChI=1S/C16H11N3O3S/c20-13-7-6-12(19-18-11-4-2-1-3-5-11)8-10(13)9-14-15(21)17-16(22)23-14/h1-9,20H,(H,17,21,22)/b14-9?,19-18+
InChIKeyFWGNIJGEUMAROS-LSAUVPQNSA-N
XLogP4.13
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 137059706
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096058
(5Z)-2-(2-chlorophenyl)imino-5-[[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137059824
2-methanehydrazonoyl-4-phenyldiazenylphenol
CID 168531348
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135782014
(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137059845
(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090722
5-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3398351
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
(5Z)-5-[[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137059868
(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1379615

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 2852002) is 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2cc(/N=N/c3ccccc3)ccc2O)S1.
What is the InChIKey of 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FWGNIJGEUMAROS-LSAUVPQNSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-13-7-6-12(19-18-11-4-2-1-3-5-11)8-10(13)9-14-15(21)17-16(22)23-14/h1-9,20H,(H,17,21,22)/b14-9?,19-18+.
What are the key properties of 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 325.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2852002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).