(5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C20H25NO3S — CID 46836280

IUPAC(5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCCC1CCCCC1
InChIInChI=1S/C20H25NO3S/c1-14-12-16(13-18-19(22)21-20(23)25-18)9-10-17(14)24-11-5-8-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,21,22,23)/b18-13-
InChIKeyXQGPPYFBVOHDNJ-AQTBWJFISA-N
MW359.49 g/mol
LogP5.06
Rot. Bonds6

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

(5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46836280) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is (5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46836280
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name(5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCCC1CCCCC1
InChIInChI=1S/C20H25NO3S/c1-14-12-16(13-18-19(22)21-20(23)25-18)9-10-17(14)24-11-5-8-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,21,22,23)/b18-13-
InChIKeyXQGPPYFBVOHDNJ-AQTBWJFISA-N
XLogP5.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.06
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-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 46836280) is (5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCCC1CCCCC1.
What is the InChIKey of (5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XQGPPYFBVOHDNJ-AQTBWJFISA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14-12-16(13-18-19(22)21-20(23)25-18)9-10-17(14)24-11-5-8-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,21,22,23)/b18-13-.
What are the key properties of (5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 359.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46836280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).