(5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C16H11NO3S — CID 1350369

IUPAC(5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)S1
InChIInChI=1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)/b14-10-
InChIKeyKUGWAQWUAGDMPL-UVTDQMKNSA-N
MW297.34 g/mol
LogP3.80
Rot. Bonds3

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

(5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1350369) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1350369
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name(5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)S1
InChIInChI=1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)/b14-10-
InChIKeyKUGWAQWUAGDMPL-UVTDQMKNSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.80
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

Sklb-010
CID 5373936
(5E)-5-[4-(benzyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
CID 5751075
5-(3-Methoxybenzylidene)thiazolidine-2,4-dione
CID 1243769
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
5-(3-(Trifluoromethoxy)benzylidene)thiazolidine-2,4-dione
CID 9965755
(5Z)-5-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 25185171
(5Z)-5-{[4-(trifluoromethoxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 25189322
5-[3-(Benzyloxy)-4-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 1350270
5-[(3,4-Dimethoxyphenyl)methylene]-2,4-thiazolidinedione
CID 233073
5-[(3-Methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3095430
(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6005649

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1350369) is (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)S1.
What is the InChIKey of (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is KUGWAQWUAGDMPL-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)/b14-10-.
What are the key properties of (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 297.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1350369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).