5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one

C19H25NO2S — CID 145160182

IUPAC5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=C1NC(=O)C(Cc2ccc(OCC3(C)CCCCC3)cc2)S1
InChIInChI=1S/C19H25NO2S/c1-14-20-18(21)17(23-14)12-15-6-8-16(9-7-15)22-13-19(2)10-4-3-5-11-19/h6-9,17H,1,3-5,10-13H2,2H3,(H,20,21)
InChIKeyFENCKUTYDYIRAQ-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.28
Rot. Bonds5

About 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one

5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one (PubChem CID 145160182) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
PubChem CID145160182
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=C1NC(=O)C(Cc2ccc(OCC3(C)CCCCC3)cc2)S1
InChIInChI=1S/C19H25NO2S/c1-14-20-18(21)17(23-14)12-15-6-8-16(9-7-15)22-13-19(2)10-4-3-5-11-19/h6-9,17H,1,3-5,10-13H2,2H3,(H,20,21)
InChIKeyFENCKUTYDYIRAQ-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;S-tetradecyl ethanethioate
CID 174978580
5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 12944217
3-butyl-2-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2H-thiophen-5-one
CID 134240431
5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]thiadiazolidine
CID 151254758
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 12944221
1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene
CID 130578092
5-[[4-[(2,5,7-trimethyl-4-oxo-3H-chromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15671166
3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propanal
CID 10492928
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
5-[[4-[(2-methyl-6-nitro-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15613931

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one (CID 145160182) is 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one is C=C1NC(=O)C(Cc2ccc(OCC3(C)CCCCC3)cc2)S1.
What is the InChIKey of 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one?
The InChIKey is FENCKUTYDYIRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-14-20-18(21)17(23-14)12-15-6-8-16(9-7-15)22-13-19(2)10-4-3-5-11-19/h6-9,17H,1,3-5,10-13H2,2H3,(H,20,21).
What are the key properties of 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one?
5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one has a molecular weight of 331.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-2-methylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 145160182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).