2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

C22H26N2O2S — CID 10271267

IUPAC2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(OCc3ccccc3)c2)N1CCN1CCCC1
InChIInChI=1S/C22H26N2O2S/c25-21-17-27-22(24(21)14-13-23-11-4-5-12-23)19-9-6-10-20(15-19)26-16-18-7-2-1-3-8-18/h1-3,6-10,15,22H,4-5,11-14,16-17H2
InChIKeyJXVQFSVPZDZEEX-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.94
Rot. Bonds7

About 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 10271267) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID10271267
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(OCc3ccccc3)c2)N1CCN1CCCC1
InChIInChI=1S/C22H26N2O2S/c25-21-17-27-22(24(21)14-13-23-11-4-5-12-23)19-9-6-10-20(15-19)26-16-18-7-2-1-3-8-18/h1-3,6-10,15,22H,4-5,11-14,16-17H2
InChIKeyJXVQFSVPZDZEEX-UHFFFAOYSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 10271267) is 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(OCc3ccccc3)c2)N1CCN1CCCC1.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is JXVQFSVPZDZEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c25-21-17-27-22(24(21)14-13-23-11-4-5-12-23)19-9-6-10-20(15-19)26-16-18-7-2-1-3-8-18/h1-3,6-10,15,22H,4-5,11-14,16-17H2.
What are the key properties of 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 382.53 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10271267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).