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

C15H10ClFN2O2S — CID 42426561

IUPAC(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-9-1-5-11(6-2-9)18-13-14(20)19(15(21)22-13)12-7-3-10(17)4-8-12/h1-8,13,18H/t13-/m1/s1
InChIKeyKKRLHHUYWODRFV-CYBMUJFWSA-N
MW336.78 g/mol
LogP4.12
Rot. Bonds3

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

(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 42426561) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID42426561
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Name(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-9-1-5-11(6-2-9)18-13-14(20)19(15(21)22-13)12-7-3-10(17)4-8-12/h1-8,13,18H/t13-/m1/s1
InChIKeyKKRLHHUYWODRFV-CYBMUJFWSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.12
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)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426611
(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1349788
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
5-(2,4-dimethylanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 16643915
5-(4-fluoroanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446267
4-[[(5R)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 1380331
(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7161149
(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1380334
2-[5-(4-chloroanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 4891684
2-[(5S)-5-(4-fluoroanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 42504065
(3R)-1-(4-chlorophenyl)-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7298611

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione (CID 42426561) is (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione is O=C1S[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is KKRLHHUYWODRFV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c16-9-1-5-11(6-2-9)18-13-14(20)19(15(21)22-13)12-7-3-10(17)4-8-12/h1-8,13,18H/t13-/m1/s1.
What are the key properties of (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?
(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 336.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 42426561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).