(5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C14H11N3O2S — CID 155531323

IUPAC(5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1nccn1-c1ccc(/C=C2/SC(=O)NC2=O)cc1
InChIInChI=1S/C14H11N3O2S/c1-9-15-6-7-17(9)11-4-2-10(3-5-11)8-12-13(18)16-14(19)20-12/h2-8H,1H3,(H,16,18,19)/b12-8+
InChIKeyCTZVSPAIQWVNDN-XYOKQWHBSA-N
MW285.33 g/mol
LogP2.50
Rot. Bonds2

About (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 155531323) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID155531323
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name(5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1nccn1-c1ccc(/C=C2/SC(=O)NC2=O)cc1
InChIInChI=1S/C14H11N3O2S/c1-9-15-6-7-17(9)11-4-2-10(3-5-11)8-12-13(18)16-14(19)20-12/h2-8H,1H3,(H,16,18,19)/b12-8+
InChIKeyCTZVSPAIQWVNDN-XYOKQWHBSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 150006835
5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2901129
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
(5Z)-5-[[3-[4-(4-ethylpiperazin-1-yl)phenyl]benzimidazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 89493865
1-[4-(2-methylimidazol-1-yl)phenyl]piperazine
CID 82513449
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 54114505
5-[[4-(4-nitropyrazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 134612550
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211751

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 155531323) is (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1nccn1-c1ccc(/C=C2/SC(=O)NC2=O)cc1.
What is the InChIKey of (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CTZVSPAIQWVNDN-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-15-6-7-17(9)11-4-2-10(3-5-11)8-12-13(18)16-14(19)20-12/h2-8H,1H3,(H,16,18,19)/b12-8+.
What are the key properties of (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 285.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 155531323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).