(5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C15H11NO2S2 — CID 18836677

IUPAC(5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C/c2cccs2)C1=O
InChIInChI=1S/C15H11NO2S2/c1-10-5-2-3-7-12(10)16-14(17)13(20-15(16)18)9-11-6-4-8-19-11/h2-9H,1H3/b13-9+
InChIKeyDRYFJQTWOZROKZ-UKTHLTGXSA-N
MW301.39 g/mol
LogP4.30
Rot. Bonds2

About (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 18836677) has the molecular formula C15H11NO2S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID18836677
Molecular FormulaC15H11NO2S2
Molecular Weight301.39 g/mol
Exact Mass301.02
IUPAC Name(5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C/c2cccs2)C1=O
InChIInChI=1S/C15H11NO2S2/c1-10-5-2-3-7-12(10)16-14(17)13(20-15(16)18)9-11-6-4-8-19-11/h2-9H,1H3/b13-9+
InChIKeyDRYFJQTWOZROKZ-UKTHLTGXSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
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

(5E)-3-(2,3-dimethylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18839786
(5Z)-3-(2-methylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836638
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354
(5E)-3-(2-methylphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836679
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836720
(5E)-3-(2-ethylphenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 6136578
(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18809392
2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 1232118
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-(2,3-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839798
4-[(Z)-[3-(2,3-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 6532078
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 51177293
(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840149

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 18836677) is (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is Cc1ccccc1N1C(=O)S/C(=C/c2cccs2)C1=O.
What is the InChIKey of (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is DRYFJQTWOZROKZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H11NO2S2/c1-10-5-2-3-7-12(10)16-14(17)13(20-15(16)18)9-11-6-4-8-19-11/h2-9H,1H3/b13-9+.
What are the key properties of (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 301.39 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).