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

C16H11NO3S — CID 1490858

IUPAC(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2Oc2ccccc2)S1
InChIInChI=1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-6-4-5-9-13(11)20-12-7-2-1-3-8-12/h1-10H,(H,17,18,19)/b14-10+
InChIKeyHJDHEMGPYLPENJ-GXDHUFHOSA-N
MW297.34 g/mol
LogP3.80
Rot. Bonds3

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

(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1490858) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1490858
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2Oc2ccccc2)S1
InChIInChI=1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-6-4-5-9-13(11)20-12-7-2-1-3-8-12/h1-10H,(H,17,18,19)/b14-10+
InChIKeyHJDHEMGPYLPENJ-GXDHUFHOSA-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'}

Analyze (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]acetamide
CID 72616880
(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1327232
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
5-[(2-chloro-4-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 141153634
(5Z)-5-[(2-heptoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 44665705
(5E)-5-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2277736
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87385706
(5Z)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634014
(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56662949
(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87224542
(5Z)-5-(1-benzothiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 156538731

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1490858) is (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccccc2Oc2ccccc2)S1.
What is the InChIKey of (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HJDHEMGPYLPENJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-6-4-5-9-13(11)20-12-7-2-1-3-8-12/h1-10H,(H,17,18,19)/b14-10+.
What are the key properties of (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2-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 (5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1490858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).