(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione

C16H13FN2O2S — CID 2013805

IUPAC(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)S[C@@H](Nc3ccccc3F)C2=O)c1
InChIInChI=1S/C16H13FN2O2S/c1-10-5-4-6-11(9-10)19-15(20)14(22-16(19)21)18-13-8-3-2-7-12(13)17/h2-9,14,18H,1H3/t14-/m1/s1
InChIKeyQLNPFRFNBDAEHX-CQSZACIVSA-N
MW316.36 g/mol
LogP3.77
Rot. Bonds3

About (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione

(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 2013805) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID2013805
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)S[C@@H](Nc3ccccc3F)C2=O)c1
InChIInChI=1S/C16H13FN2O2S/c1-10-5-4-6-11(9-10)19-15(20)14(22-16(19)21)18-13-8-3-2-7-12(13)17/h2-9,14,18H,1H3/t14-/m1/s1
InChIKeyQLNPFRFNBDAEHX-CQSZACIVSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7161149
(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7345725
3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 3446060
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 4620974
5-(2,4-dimethylanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 16643915
5-(4-butylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 5193553
5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3123235
(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426611
(5S)-3-(4-bromophenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 1202327
5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 4314557
3-(4-methylphenyl)-5-(2-nitroanilino)-1,3-thiazolidine-2,4-dione
CID 3413736

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 2013805) is (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1cccc(N2C(=O)S[C@@H](Nc3ccccc3F)C2=O)c1.
What is the InChIKey of (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is QLNPFRFNBDAEHX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-10-5-4-6-11(9-10)19-15(20)14(22-16(19)21)18-13-8-3-2-7-12(13)17/h2-9,14,18H,1H3/t14-/m1/s1.
What are the key properties of (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione?
(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2013805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).