(5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H14N4O4S2 — CID 71472157

IUPAC(5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(OCCSc3nnc(-c4ccncc4)o3)cc2)S1
InChIInChI=1S/C19H14N4O4S2/c24-16-15(29-18(25)21-16)11-12-1-3-14(4-2-12)26-9-10-28-19-23-22-17(27-19)13-5-7-20-8-6-13/h1-8,11H,9-10H2,(H,21,24,25)/b15-11+
InChIKeyCDQITBARTLUYTF-RVDMUPIBSA-N
MW426.48 g/mol
LogP3.63
Rot. Bonds7

About (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 71472157) has the molecular formula C19H14N4O4S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID71472157
Molecular FormulaC19H14N4O4S2
Molecular Weight426.48 g/mol
Exact Mass426.05
IUPAC Name(5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(OCCSc3nnc(-c4ccncc4)o3)cc2)S1
InChIInChI=1S/C19H14N4O4S2/c24-16-15(29-18(25)21-16)11-12-1-3-14(4-2-12)26-9-10-28-19-23-22-17(27-19)13-5-7-20-8-6-13/h1-8,11H,9-10H2,(H,21,24,25)/b15-11+
InChIKeyCDQITBARTLUYTF-RVDMUPIBSA-N
XLogP3.63
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 71472157) is (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(OCCSc3nnc(-c4ccncc4)o3)cc2)S1.
What is the InChIKey of (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CDQITBARTLUYTF-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H14N4O4S2/c24-16-15(29-18(25)21-16)11-12-1-3-14(4-2-12)26-9-10-28-19-23-22-17(27-19)13-5-7-20-8-6-13/h1-8,11H,9-10H2,(H,21,24,25)/b15-11+.
What are the key properties of (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 426.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 71472157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).