(5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H23NO3S — CID 59411572

IUPAC(5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCC1(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)CCCCC1
InChIInChI=1S/C19H23NO3S/c1-2-19(10-4-3-5-11-19)13-23-15-8-6-14(7-9-15)12-16-17(21)20-18(22)24-16/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,21,22)/b16-12-
InChIKeyBTFMRJOUWHXHGB-VBKFSLOCSA-N
MW345.46 g/mol
LogP4.75
Rot. Bonds5

About (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 59411572) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID59411572
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCC1(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)CCCCC1
InChIInChI=1S/C19H23NO3S/c1-2-19(10-4-3-5-11-19)13-23-15-8-6-14(7-9-15)12-16-17(21)20-18(22)24-16/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,21,22)/b16-12-
InChIKeyBTFMRJOUWHXHGB-VBKFSLOCSA-N
XLogP4.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 59411572) is (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCC1(COc2ccc(/C=C3\SC(=O)NC3=O)cc2)CCCCC1.
What is the InChIKey of (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BTFMRJOUWHXHGB-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-19(10-4-3-5-11-19)13-23-15-8-6-14(7-9-15)12-16-17(21)20-18(22)24-16/h6-9,12H,2-5,10-11,13H2,1H3,(H,20,21,22)/b16-12-.
What are the key properties of (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 345.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 59411572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).