(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione

C16H13FN2O2S — CID 42415968

IUPAC(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C16H13FN2O2S/c1-10-3-2-4-12(9-10)18-14-15(20)19(16(21)22-14)13-7-5-11(17)6-8-13/h2-9,14,18H,1H3/t14-/m0/s1
InChIKeyGVKVINJELRNYME-AWEZNQCLSA-N
MW316.36 g/mol
LogP3.77
Rot. Bonds3

About (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione

(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 42415968) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
PubChem CID42415968
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C16H13FN2O2S/c1-10-3-2-4-12(9-10)18-14-15(20)19(16(21)22-14)13-7-5-11(17)6-8-13/h2-9,14,18H,1H3/t14-/m0/s1
InChIKeyGVKVINJELRNYME-AWEZNQCLSA-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

5-(2,4-dimethylanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 16643915
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426561
(5R)-5-(2-bromoanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426611
(5R)-5-(2-fluoroanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 2013805
5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 4314557
(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1349788
2-[(5S)-5-(3-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 2049934
(5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 7195463
5-(4-butylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 5193553
4-[[(5R)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 1380331
5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione
CID 16643925

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione (CID 42415968) is (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione is Cc1cccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)c1.
What is the InChIKey of (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is GVKVINJELRNYME-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-10-3-2-4-12(9-10)18-14-15(20)19(16(21)22-14)13-7-5-11(17)6-8-13/h2-9,14,18H,1H3/t14-/m0/s1.
What are the key properties of (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-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 (5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 42415968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).