[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone

C16H22N2O2S — CID 124569065

IUPAC[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSCN1)N1CCC[C@H]1C[C@@H](O)c1ccccc1
InChIInChI=1S/C16H22N2O2S/c19-15(12-5-2-1-3-6-12)9-13-7-4-8-18(13)16(20)14-10-21-11-17-14/h1-3,5-6,13-15,17,19H,4,7-11H2/t13-,14-,15+/m0/s1
InChIKeyZPWWEOKEVIVLLK-SOUVJXGZSA-N
MW306.43 g/mol
LogP1.76
Rot. Bonds4

About [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone

[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone (PubChem CID 124569065) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
PubChem CID124569065
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSCN1)N1CCC[C@H]1C[C@@H](O)c1ccccc1
InChIInChI=1S/C16H22N2O2S/c19-15(12-5-2-1-3-6-12)9-13-7-4-8-18(13)16(20)14-10-21-11-17-14/h1-3,5-6,13-15,17,19H,4,7-11H2/t13-,14-,15+/m0/s1
InChIKeyZPWWEOKEVIVLLK-SOUVJXGZSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dithiolan-2-yl-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 124742146
(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 124880408
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
3-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]benzoic acid
CID 129415441
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111472411
(3,5-difluorophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472321
(2-ethyl-1H-imidazol-5-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111781389
(4R)-1-ethyl-4-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 100859107
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone (CID 124569065) is [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone is O=C([C@@H]1CSCN1)N1CCC[C@H]1C[C@@H](O)c1ccccc1.
What is the InChIKey of [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is ZPWWEOKEVIVLLK-SOUVJXGZSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15(12-5-2-1-3-6-12)9-13-7-4-8-18(13)16(20)14-10-21-11-17-14/h1-3,5-6,13-15,17,19H,4,7-11H2/t13-,14-,15+/m0/s1.
What are the key properties of [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 306.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 124569065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).