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

C8H4ClNO2S2 — CID 1257537

IUPAC(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Cl)s2)S1
InChIInChI=1S/C8H4ClNO2S2/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+
InChIKeyAHUGQHNBLMULAP-HWKANZROSA-N
MW245.71 g/mol
LogP2.73
Rot. Bonds1

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

(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1257537) has the molecular formula C8H4ClNO2S2 and a molecular weight of 245.71 g/mol. Its IUPAC name is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1257537
Molecular FormulaC8H4ClNO2S2
Molecular Weight245.71 g/mol
Exact Mass244.94
IUPAC Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(Cl)s2)S1
InChIInChI=1S/C8H4ClNO2S2/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+
InChIKeyAHUGQHNBLMULAP-HWKANZROSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.73
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-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1421105
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697118
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1257539
(5Z)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 5896341
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 56949900
(5Z)-5-[(3-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 56949902
2,4-Thiazolidinedione, 5-(2-thienylmethylene)-, (Z)-
CID 3641693
5-[(E)-2-thienylmethylidene]-1,3-thiazolane-2,4-dione
CID 1421104
(Z)-3-(5-chlorothiophen-2-yl)-2-fluoroprop-2-enamide
CID 141094454
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 697116
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 2186377
3-Sec-butyl-5-[(5-chloro-2-thienyl)methylene]-1,3-thiazolidine-2,4-dione
CID 5735840

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1257537) is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(Cl)s2)S1.
What is the InChIKey of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is AHUGQHNBLMULAP-HWKANZROSA-N. The full InChI is InChI=1S/C8H4ClNO2S2/c9-6-2-1-4(13-6)3-5-7(11)10-8(12)14-5/h1-3H,(H,10,11,12)/b5-3+.
What are the key properties of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 245.71 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1257537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).