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

C8H5NO2S2 — CID 1421105

IUPAC(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccs2)S1
InChIInChI=1S/C8H5NO2S2/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
InChIKeyDOOLJLRRQAYVGK-XQRVVYSFSA-N
MW211.27 g/mol
LogP2.07
Rot. Bonds1

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

(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1421105) has the molecular formula C8H5NO2S2 and a molecular weight of 211.27 g/mol. Its IUPAC name is (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1421105
Molecular FormulaC8H5NO2S2
Molecular Weight211.27 g/mol
Exact Mass210.98
IUPAC Name(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccs2)S1
InChIInChI=1S/C8H5NO2S2/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-
InChIKeyDOOLJLRRQAYVGK-XQRVVYSFSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
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-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241133
5-(2-Thienylmethylene)rhodanine
CID 2796945
(5E)-5-(2-Thienylmethylene)-2-thioxo-4-thiazolidinone
CID 1241132
(Z)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-thiophen-2-ylprop-2-enenitrile
CID 76317242
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 2385929
2-Imino-5-[3-(2-thienyl)-2-propenylidene]-1,3-thiazolidin-4-one
CID 1221084
(2E)-2-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 76328307
(5Z)-2-imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 1205039
3-Methyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolan-4-one
CID 1550686
2,4-Selenazolidinedione, 5-(2-thienylmethylene)-
CID 6448138
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1257539
(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5776681

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1421105) is (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccs2)S1.
What is the InChIKey of (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is DOOLJLRRQAYVGK-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H5NO2S2/c10-7-6(13-8(11)9-7)4-5-2-1-3-12-5/h1-4H,(H,9,10,11)/b6-4-.
What are the key properties of (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 211.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1421105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).