(5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C12H11NO3S — CID 57456999

IUPAC(5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(O)cc(C)c1/C=C1\SC(=O)NC1=O
InChIInChI=1S/C12H11NO3S/c1-6-3-8(14)4-7(2)9(6)5-10-11(15)13-12(16)17-10/h3-5,14H,1-2H3,(H,13,15,16)/b10-5-
InChIKeySNYSLBWITWCUKY-YHYXMXQVSA-N
MW249.29 g/mol
LogP2.33
Rot. Bonds1

About (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 57456999) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID57456999
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name(5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(O)cc(C)c1/C=C1\SC(=O)NC1=O
InChIInChI=1S/C12H11NO3S/c1-6-3-8(14)4-7(2)9(6)5-10-11(15)13-12(16)17-10/h3-5,14H,1-2H3,(H,13,15,16)/b10-5-
InChIKeySNYSLBWITWCUKY-YHYXMXQVSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
5-[(3-ethoxy-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 123616506
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 158844505
5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 54114505
(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 21374241
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096053
(5Z)-5-[(4-hydroxy-3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 159654137
5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86222599
(5Z)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6026022
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096058
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
(5E)-5-ethylidene-1,3-thiazolidine-2,4-dione
CID 23128889

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 57456999) is (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc(O)cc(C)c1/C=C1\SC(=O)NC1=O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SNYSLBWITWCUKY-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-6-3-8(14)4-7(2)9(6)5-10-11(15)13-12(16)17-10/h3-5,14H,1-2H3,(H,13,15,16)/b10-5-.
What are the key properties of (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 249.29 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 57456999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).