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

C9H6N2O2S — CID 1397819

IUPAC(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccncc2)S1
InChIInChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)/b7-5+
InChIKeySNBCHQYHZKXQQY-FNORWQNLSA-N
MW206.23 g/mol
LogP1.41
Rot. Bonds1

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

(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1397819) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1397819
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccncc2)S1
InChIInChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)/b7-5+
InChIKeySNBCHQYHZKXQQY-FNORWQNLSA-N
XLogP1.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.41
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-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
CID 87640864
CID 87640864
(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135504595
2-(4-methylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135461464
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
5-(quinazolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 141171084
(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
CID 135635357
(5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155531323
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25067903
5-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74403639
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1397819) is (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccncc2)S1.
What is the InChIKey of (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is SNBCHQYHZKXQQY-FNORWQNLSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-8-7(14-9(13)11-8)5-6-1-3-10-4-2-6/h1-5H,(H,11,12,13)/b7-5+.
What are the key properties of (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 206.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1397819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).