(5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C9H7NO2S2 — CID 6531825

IUPAC(5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2cccs2)C1=O
InChIInChI=1S/C9H7NO2S2/c1-10-8(11)7(14-9(10)12)5-6-3-2-4-13-6/h2-5H,1H3/b7-5-
InChIKeyXYRZEXYUUGMLHM-ALCCZGGFSA-N
MW225.29 g/mol
LogP2.41
Rot. Bonds1

About (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 6531825) has the molecular formula C9H7NO2S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID6531825
Molecular FormulaC9H7NO2S2
Molecular Weight225.29 g/mol
Exact Mass224.99
IUPAC Name(5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2cccs2)C1=O
InChIInChI=1S/C9H7NO2S2/c1-10-8(11)7(14-9(10)12)5-6-3-2-4-13-6/h2-5H,1H3/b7-5-
InChIKeyXYRZEXYUUGMLHM-ALCCZGGFSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.41
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

2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetic acid
CID 1201190
(5Z)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241133
5-(2-Thienylmethylene)rhodanine
CID 2796945
(5E)-3-ethyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5737793
Cyto9G3
CID 2732031
(5E)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241132
(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2385929
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1421105
2-[2,4-Dioxo-5-(2-thienylmethylene)-1,3-thiazolidin-3-yl]acetic acid
CID 1541796
(5E)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1210771
1-{[(Thien-2-ylmethyl)thio]acetyl}pyrrolidine
CID 3240804

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 6531825) is (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is CN1C(=O)S/C(=C\c2cccs2)C1=O.
What is the InChIKey of (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is XYRZEXYUUGMLHM-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H7NO2S2/c1-10-8(11)7(14-9(10)12)5-6-3-2-4-13-6/h2-5H,1H3/b7-5-.
What are the key properties of (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6531825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).