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

C19H25NO3S — CID 12944217

IUPAC5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1
InChIInChI=1S/C19H25NO3S/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/h6-9,16H,2-5,10-13H2,1H3,(H,20,21,22)
InChIKeyFTMCRYPADARNER-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.32
Rot. Bonds6

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

5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 12944217) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID12944217
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1
InChIInChI=1S/C19H25NO3S/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/h6-9,16H,2-5,10-13H2,1H3,(H,20,21,22)
InChIKeyFTMCRYPADARNER-UHFFFAOYSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 12944217) is 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CCC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1.
What is the InChIKey of 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FTMCRYPADARNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/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/h6-9,16H,2-5,10-13H2,1H3,(H,20,21,22).
What are the key properties of 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 347.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 12944217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).