(5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C15H13NO3S2 — CID 89042691

IUPAC(5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCC3C=CSC3)cc2)S1
InChIInChI=1S/C15H13NO3S2/c17-14-13(21-15(18)16-14)7-10-1-3-12(4-2-10)19-8-11-5-6-20-9-11/h1-7,11H,8-9H2,(H,16,17,18)/b13-7-
InChIKeyYBOWCRSTQNRUOM-QPEQYQDCSA-N
MW319.41 g/mol
LogP3.27
Rot. Bonds4

About (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 89042691) has the molecular formula C15H13NO3S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID89042691
Molecular FormulaC15H13NO3S2
Molecular Weight319.41 g/mol
Exact Mass319.03
IUPAC Name(5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCC3C=CSC3)cc2)S1
InChIInChI=1S/C15H13NO3S2/c17-14-13(21-15(18)16-14)7-10-1-3-12(4-2-10)19-8-11-5-6-20-9-11/h1-7,11H,8-9H2,(H,16,17,18)/b13-7-
InChIKeyYBOWCRSTQNRUOM-QPEQYQDCSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 89042691) is (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCC3C=CSC3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YBOWCRSTQNRUOM-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H13NO3S2/c17-14-13(21-15(18)16-14)7-10-1-3-12(4-2-10)19-8-11-5-6-20-9-11/h1-7,11H,8-9H2,(H,16,17,18)/b13-7-.
What are the key properties of (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 319.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 89042691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).