(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

C24H29NO3S — CID 59994086

IUPAC(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCCCCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C24H29NO3S/c1-2-3-4-5-6-7-8-11-16-28-21-15-14-18(19-12-9-10-13-20(19)21)17-22-23(26)25-24(27)29-22/h9-10,12-15,17H,2-8,11,16H2,1H3,(H,25,26,27)/b22-17-
InChIKeyCPIVNLSCERTQSW-XLNRJJMWSA-N
MW411.57 g/mol
LogP6.68
Rot. Bonds11

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

(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 59994086) has the molecular formula C24H29NO3S and a molecular weight of 411.57 g/mol. Its IUPAC name is (5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID59994086
Molecular FormulaC24H29NO3S
Molecular Weight411.57 g/mol
Exact Mass411.19
IUPAC Name(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCCCCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C24H29NO3S/c1-2-3-4-5-6-7-8-11-16-28-21-15-14-18(19-12-9-10-13-20(19)21)17-22-23(26)25-24(27)29-22/h9-10,12-15,17H,2-8,11,16H2,1H3,(H,25,26,27)/b22-17-
InChIKeyCPIVNLSCERTQSW-XLNRJJMWSA-N
XLogP6.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 59994086) is (5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione is CCCCCCCCCCOc1ccc(/C=C2\SC(=O)NC2=O)c2ccccc12.
What is the InChIKey of (5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CPIVNLSCERTQSW-XLNRJJMWSA-N. The full InChI is InChI=1S/C24H29NO3S/c1-2-3-4-5-6-7-8-11-16-28-21-15-14-18(19-12-9-10-13-20(19)21)17-22-23(26)25-24(27)29-22/h9-10,12-15,17H,2-8,11,16H2,1H3,(H,25,26,27)/b22-17-.
What are the key properties of (5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 411.57 g/mol, XLogP of 6.68, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59994086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).