(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C18H14ClNO3S — CID 87224542

IUPAC(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(Oc1cccc(/C=C2/SC(=O)NC2=O)c1Cl)c1ccccc1
InChIInChI=1S/C18H14ClNO3S/c1-11(12-6-3-2-4-7-12)23-14-9-5-8-13(16(14)19)10-15-17(21)20-18(22)24-15/h2-11H,1H3,(H,20,21,22)/b15-10+
InChIKeySFJCNJPLYOBLSQ-XNTDXEJSSA-N
MW359.83 g/mol
LogP4.80
Rot. Bonds4

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

(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87224542) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87224542
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC Name(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(Oc1cccc(/C=C2/SC(=O)NC2=O)c1Cl)c1ccccc1
InChIInChI=1S/C18H14ClNO3S/c1-11(12-6-3-2-4-7-12)23-14-9-5-8-13(16(14)19)10-15-17(21)20-18(22)24-15/h2-11H,1H3,(H,20,21,22)/b15-10+
InChIKeySFJCNJPLYOBLSQ-XNTDXEJSSA-N
XLogP4.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.80
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

(5E)-5-[[3-chloro-4-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87224599
5-[[2-chloro-3-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75216667
5-[[2-chloro-3-(1-cyclohexylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 173036211
[2-chloro-3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-phenylpentanoate
CID 130222755
5-[[2-chloro-3-[(4-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 76804663
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
[2-chloro-3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 5-phenylpentanoate;5-phenylpentanoic acid
CID 159825106
(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1327232
5-[(3-propan-2-yloxy-2-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 90837457
(5Z)-5-[[1-(1-phenylethyl)indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973286
(5E)-5-[[2-chloro-4-(1-phenylbutoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87224671
(5Z)-5-[(2-heptoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 44665705

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 87224542) is (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CC(Oc1cccc(/C=C2/SC(=O)NC2=O)c1Cl)c1ccccc1.
What is the InChIKey of (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SFJCNJPLYOBLSQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c1-11(12-6-3-2-4-7-12)23-14-9-5-8-13(16(14)19)10-15-17(21)20-18(22)24-15/h2-11H,1H3,(H,20,21,22)/b15-10+.
What are the key properties of (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 359.83 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[2-chloro-3-(1-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87224542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).