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

C17H15ClN2O2S — CID 1349788

IUPAC(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)S[C@@H](Nc3ccc(C)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O2S/c1-10-3-7-13(8-4-10)20-16(21)15(23-17(20)22)19-12-6-5-11(2)14(18)9-12/h3-9,15,19H,1-2H3/t15-/m1/s1
InChIKeyKFDRCKTXONIXFY-OAHLLOKOSA-N
MW346.84 g/mol
LogP4.59
Rot. Bonds3

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

(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1349788) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID1349788
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)S[C@@H](Nc3ccc(C)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O2S/c1-10-3-7-13(8-4-10)20-16(21)15(23-17(20)22)19-12-6-5-11(2)14(18)9-12/h3-9,15,19H,1-2H3/t15-/m1/s1
InChIKeyKFDRCKTXONIXFY-OAHLLOKOSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.59
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-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
4-[[(5R)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 1380331
5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 4314557
(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1380334
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
4-[[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 3446167
(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426561
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033955
5-(2,4-dimethylanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 16643915
3-(4-methylphenyl)-5-(2-nitroanilino)-1,3-thiazolidine-2,4-dione
CID 3413736
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 1349788) is (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(C)c(Cl)c3)C2=O)cc1.
What is the InChIKey of (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is KFDRCKTXONIXFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-10-3-7-13(8-4-10)20-16(21)15(23-17(20)22)19-12-6-5-11(2)14(18)9-12/h3-9,15,19H,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 346.84 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1349788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).