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

C19H28N2O2S — CID 23988752

IUPAC2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)Oc1ccc(C2SCC(=O)N2CCN2CCCC2)cc1
InChIInChI=1S/C19H28N2O2S/c1-19(2,3)23-16-8-6-15(7-9-16)18-21(17(22)14-24-18)13-12-20-10-4-5-11-20/h6-9,18H,4-5,10-14H2,1-3H3
InChIKeySNGJQBSMKBCZAV-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.53
Rot. Bonds5

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

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 23988752) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID23988752
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)Oc1ccc(C2SCC(=O)N2CCN2CCCC2)cc1
InChIInChI=1S/C19H28N2O2S/c1-19(2,3)23-16-8-6-15(7-9-16)18-21(17(22)14-24-18)13-12-20-10-4-5-11-20/h6-9,18H,4-5,10-14H2,1-3H3
InChIKeySNGJQBSMKBCZAV-UHFFFAOYSA-N
XLogP3.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 23988752) is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is CC(C)(C)Oc1ccc(C2SCC(=O)N2CCN2CCCC2)cc1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is SNGJQBSMKBCZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-19(2,3)23-16-8-6-15(7-9-16)18-21(17(22)14-24-18)13-12-20-10-4-5-11-20/h6-9,18H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 348.51 g/mol, XLogP of 3.53, 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-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23988752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).