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

C16H20N2O3S — CID 87385706

IUPAC(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN(CC)CCOc1ccccc1/C=C1/SC(=O)NC1=O
InChIInChI=1S/C16H20N2O3S/c1-3-18(4-2)9-10-21-13-8-6-5-7-12(13)11-14-15(19)17-16(20)22-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19,20)/b14-11+
InChIKeyQMRSJVCNIKOQMA-SDNWHVSQSA-N
MW320.41 g/mol
LogP2.73
Rot. Bonds7

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

(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87385706) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87385706
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCN(CC)CCOc1ccccc1/C=C1/SC(=O)NC1=O
InChIInChI=1S/C16H20N2O3S/c1-3-18(4-2)9-10-21-13-8-6-5-7-12(13)11-14-15(19)17-16(20)22-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19,20)/b14-11+
InChIKeyQMRSJVCNIKOQMA-SDNWHVSQSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.73
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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Related Compounds

(5E)-5-[(2-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1327232
(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
(5Z)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634014
(5E)-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1490858
(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59994086
2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 16634203
5-[[2-chloro-3-(2-propan-2-yloxyethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75216667
5-[(2-ethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171127950
2-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 53448223
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
(5Z)-5-[[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278232

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 87385706) is (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCN(CC)CCOc1ccccc1/C=C1/SC(=O)NC1=O.
What is the InChIKey of (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QMRSJVCNIKOQMA-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-18(4-2)9-10-21-13-8-6-5-7-12(13)11-14-15(19)17-16(20)22-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19,20)/b14-11+.
What are the key properties of (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 320.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[2-[2-(diethylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87385706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).