(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine

C16H17NOS — CID 93068855

IUPAC(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESc1ccc(COc2cccc([C@@H]3NCCS3)c2)cc1
InChIInChI=1S/C16H17NOS/c1-2-5-13(6-3-1)12-18-15-8-4-7-14(11-15)16-17-9-10-19-16/h1-8,11,16-17H,9-10,12H2/t16-/m1/s1
InChIKeySDHXREBBMPUELS-MRXNPFEDSA-N
MW271.38 g/mol
LogP3.60
Rot. Bonds4

About (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine

(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine (PubChem CID 93068855) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
PubChem CID93068855
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESc1ccc(COc2cccc([C@@H]3NCCS3)c2)cc1
InChIInChI=1S/C16H17NOS/c1-2-5-13(6-3-1)12-18-15-8-4-7-14(11-15)16-17-9-10-19-16/h1-8,11,16-17H,9-10,12H2/t16-/m1/s1
InChIKeySDHXREBBMPUELS-MRXNPFEDSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenoxyphenyl)-1,3-thiazolidine
CID 62140518
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171193942
(3S)-3-(3-phenylmethoxyphenyl)morpholine
CID 171193333
(3S)-3-(3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193334
3-(3-phenylmethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 134611920
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
cyclopropyl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7301681
3-(3-phenylmethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
CID 3350776
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(3-methylcyclohexyl)-3-phenylmethoxybenzene
CID 174634961
5-phenylmethoxy-2-[(2R)-pyrrolidin-2-yl]phenol
CID 171196134

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine (CID 93068855) is (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine is c1ccc(COc2cccc([C@@H]3NCCS3)c2)cc1.
What is the InChIKey of (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The InChIKey is SDHXREBBMPUELS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-5-13(6-3-1)12-18-15-8-4-7-14(11-15)16-17-9-10-19-16/h1-8,11,16-17H,9-10,12H2/t16-/m1/s1.
What are the key properties of (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine has a molecular weight of 271.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 93068855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).