(5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H19N3O4S — CID 18722821

IUPAC(5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1nc(C)cc(=O)n1CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-16-20-12(2)10-17(23)22(16)8-9-26-14-6-4-13(5-7-14)11-15-18(24)21-19(25)27-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,24,25)/b15-11+
InChIKeyHEYWBWFMBWKADZ-RVDMUPIBSA-N
MW385.45 g/mol
LogP2.52
Rot. Bonds6

About (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18722821) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18722821
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name(5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1nc(C)cc(=O)n1CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-3-16-20-12(2)10-17(23)22(16)8-9-26-14-6-4-13(5-7-14)11-15-18(24)21-19(25)27-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,24,25)/b15-11+
InChIKeyHEYWBWFMBWKADZ-RVDMUPIBSA-N
XLogP2.52
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
2-ethyl-6-methyl-3-[2-[4-(pentan-2-ylamino)phenoxy]ethyl]pyrimidin-4-one
CID 59036049
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 14211277
(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 163891673
5-[[4-[2-(3-methyl-4-oxoquinazolin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 54052043
(5Z)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydron;chloride
CID 87789988
(5Z)-5-[[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10022234
5-[[4-(2-phenoxazin-10-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 54414745
(5Z)-5-[[4-[2-[6-ethyl-5-[(1R)-1-hydroxyethyl]-2-pyridinyl]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 137409262
(5Z)-5-[[4-(3-phenylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836336
(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18998899
(5E)-5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2277906

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18722821) is (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCc1nc(C)cc(=O)n1CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1.
What is the InChIKey of (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HEYWBWFMBWKADZ-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-16-20-12(2)10-17(23)22(16)8-9-26-14-6-4-13(5-7-14)11-15-18(24)21-19(25)27-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,24,25)/b15-11+.
What are the key properties of (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 385.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18722821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).