1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

C18H19NO2S — CID 7262558

IUPAC1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H19NO2S/c1-14(20)19-10-11-22-18(19)16-8-5-9-17(12-16)21-13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1
InChIKeyFPADEFVAKDAPSH-GOSISDBHSA-N
MW313.42 g/mol
LogP3.86
Rot. Bonds4

About 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 7262558) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID7262558
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H19NO2S/c1-14(20)19-10-11-22-18(19)16-8-5-9-17(12-16)21-13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1
InChIKeyFPADEFVAKDAPSH-GOSISDBHSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7301681
(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3402926
N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4047301
1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7396899
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4052836
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 7262558) is 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is FPADEFVAKDAPSH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-14(20)19-10-11-22-18(19)16-8-5-9-17(12-16)21-13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 313.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 7262558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).