(5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

C8H6N2OS2 — CID 171127509

IUPAC(5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2ccsc2)S1
InChIInChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11)/b6-3+
InChIKeyLMIMBTHCPZTIRH-ZZXKWVIFSA-N
MW210.28 g/mol
LogP1.89
Rot. Bonds1

About (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 171127509) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID171127509
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name(5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2ccsc2)S1
InChIInChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11)/b6-3+
InChIKeyLMIMBTHCPZTIRH-ZZXKWVIFSA-N
XLogP1.89
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Imino-5-(3-thienylmethylene)-1,3-thiazolidin-4-one
CID 1201946
(5Z)-2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
CID 1201947
(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 146674278
(5Z)-2-imino-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 172017816
5-(3-Thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1238528
(5Z)-2-sulfanyl-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 1238529
CID 172016015
CID 172016015
(5Z)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 172016908
(5E)-2-imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 172017469
(5Z)-3-methyl-2-methylimino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 5767189
5-(3-Thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1361712
(5Z)-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1361714

Frequently Asked Questions

What is the IUPAC name of (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 171127509) is (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)/C(=C\c2ccsc2)S1.
What is the InChIKey of (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is LMIMBTHCPZTIRH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11)/b6-3+.
What are the key properties of (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-imino-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 171127509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).