(2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

C19H19F2NOS — CID 7297133

IUPAC(2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCS[C@@H]1c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H19F2NOS/c1-2-15(13-6-4-3-5-7-13)18(23)22-10-11-24-19(22)16-9-8-14(20)12-17(16)21/h3-9,12,15,19H,2,10-11H2,1H3/t15-,19-/m1/s1
InChIKeyJVFYJPINFZMVGD-DNVCBOLYSA-N
MW347.43 g/mol
LogP4.73
Rot. Bonds4

About (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one

(2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one (PubChem CID 7297133) has the molecular formula C19H19F2NOS and a molecular weight of 347.43 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
PubChem CID7297133
Molecular FormulaC19H19F2NOS
Molecular Weight347.43 g/mol
Exact Mass347.12
IUPAC Name(2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCS[C@@H]1c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H19F2NOS/c1-2-15(13-6-4-3-5-7-13)18(23)22-10-11-24-19(22)16-9-8-14(20)12-17(16)21/h3-9,12,15,19H,2,10-11H2,1H3/t15-,19-/m1/s1
InChIKeyJVFYJPINFZMVGD-DNVCBOLYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 93114946
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 5226624
2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one
CID 122329135
(2R)-1-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7237057
2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7418795
(2R)-1-[(2S)-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 7418724
(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 1024533
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 4246927
[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7418809
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 3444279
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The IUPAC name of (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one (CID 7297133) is (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one.
What is the SMILES notation for (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The canonical SMILES for (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one is CC[C@@H](C(=O)N1CCS[C@@H]1c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
The InChIKey is JVFYJPINFZMVGD-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H19F2NOS/c1-2-15(13-6-4-3-5-7-13)18(23)22-10-11-24-19(22)16-9-8-14(20)12-17(16)21/h3-9,12,15,19H,2,10-11H2,1H3/t15-,19-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one?
(2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one has a molecular weight of 347.43 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 7297133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).