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

C19H23NO4S — CID 46836610

IUPAC(5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCC1CCCCC1
InChIInChI=1S/C19H23NO4S/c1-23-16-11-14(12-17-18(21)20-19(22)25-17)7-8-15(16)24-10-9-13-5-3-2-4-6-13/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,21,22)/b17-12-
InChIKeyREFPRDWFDSQKAG-ATVHPVEESA-N
MW361.46 g/mol
LogP4.37
Rot. Bonds6

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

(5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46836610) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46836610
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCC1CCCCC1
InChIInChI=1S/C19H23NO4S/c1-23-16-11-14(12-17-18(21)20-19(22)25-17)7-8-15(16)24-10-9-13-5-3-2-4-6-13/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,21,22)/b17-12-
InChIKeyREFPRDWFDSQKAG-ATVHPVEESA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 46836610) is (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCC1CCCCC1.
What is the InChIKey of (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is REFPRDWFDSQKAG-ATVHPVEESA-N. The full InChI is InChI=1S/C19H23NO4S/c1-23-16-11-14(12-17-18(21)20-19(22)25-17)7-8-15(16)24-10-9-13-5-3-2-4-6-13/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,21,22)/b17-12-.
What are the key properties of (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 361.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(2-cyclohexylethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46836610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).