2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

C19H23NO2S2 — CID 3807254

IUPAC2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)Oc1ccc(C2SCC(=O)N2CCc2cccs2)cc1
InChIInChI=1S/C19H23NO2S2/c1-19(2,3)22-15-8-6-14(7-9-15)18-20(17(21)13-24-18)11-10-16-5-4-12-23-16/h4-9,12,18H,10-11,13H2,1-3H3
InChIKeyRGPUDCQNFCYWMP-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.74
Rot. Bonds5

About 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 3807254) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
PubChem CID3807254
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)Oc1ccc(C2SCC(=O)N2CCc2cccs2)cc1
InChIInChI=1S/C19H23NO2S2/c1-19(2,3)22-15-8-6-14(7-9-15)18-20(17(21)13-24-18)11-10-16-5-4-12-23-16/h4-9,12,18H,10-11,13H2,1-3H3
InChIKeyRGPUDCQNFCYWMP-UHFFFAOYSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 23988752
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3713105
2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
CID 23848088
3-[(3,5-dimethoxyphenyl)methyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazolidin-4-one
CID 3364686
3-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3745762
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4984570
(2S)-3-[3-[(2S)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 10093008
2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3820114

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (CID 3807254) is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is CC(C)(C)Oc1ccc(C2SCC(=O)N2CCc2cccs2)cc1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is RGPUDCQNFCYWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-19(2,3)22-15-8-6-14(7-9-15)18-20(17(21)13-24-18)11-10-16-5-4-12-23-16/h4-9,12,18H,10-11,13H2,1-3H3.
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 361.53 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3807254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).