(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione

C15H10BrFN2O2S — CID 42426611

IUPAC(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@@H](Nc2ccccc2Br)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O2S/c16-11-3-1-2-4-12(11)18-13-14(20)19(15(21)22-13)10-7-5-9(17)6-8-10/h1-8,13,18H/t13-/m1/s1
InChIKeyMTLWFMPLJQADBE-CYBMUJFWSA-N
MW381.23 g/mol
LogP4.23
Rot. Bonds3

About (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione

(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 42426611) has the molecular formula C15H10BrFN2O2S and a molecular weight of 381.23 g/mol. Its IUPAC name is (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID42426611
Molecular FormulaC15H10BrFN2O2S
Molecular Weight381.23 g/mol
Exact Mass379.96
IUPAC Name(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@@H](Nc2ccccc2Br)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O2S/c16-11-3-1-2-4-12(11)18-13-14(20)19(15(21)22-13)10-7-5-9(17)6-8-10/h1-8,13,18H/t13-/m1/s1
InChIKeyMTLWFMPLJQADBE-CYBMUJFWSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.23
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

5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3123235
(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7161149
(5S)-3-(4-bromophenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 1202327
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
3-(4-bromophenyl)-5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
CID 3120494
5-(2,4-dimethylanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 16643915
(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426561
(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
(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 2013805
3-(4-methylphenyl)-5-(2-nitroanilino)-1,3-thiazolidine-2,4-dione
CID 3413736
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione (CID 42426611) is (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione is O=C1S[C@@H](Nc2ccccc2Br)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is MTLWFMPLJQADBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H10BrFN2O2S/c16-11-3-1-2-4-12(11)18-13-14(20)19(15(21)22-13)10-7-5-9(17)6-8-10/h1-8,13,18H/t13-/m1/s1.
What are the key properties of (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?
(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 381.23 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 42426611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).