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

C16H14N2O2S — CID 7345725

IUPAC(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H14N2O2S/c1-11-7-5-6-10-13(11)17-14-15(19)18(16(20)21-14)12-8-3-2-4-9-12/h2-10,14,17H,1H3/t14-/m1/s1
InChIKeyQURQSALPGFMTFN-CQSZACIVSA-N
MW298.37 g/mol
LogP3.63
Rot. Bonds3

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

(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 7345725) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID7345725
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H14N2O2S/c1-11-7-5-6-10-13(11)17-14-15(19)18(16(20)21-14)12-8-3-2-4-9-12/h2-10,14,17H,1H3/t14-/m1/s1
InChIKeyQURQSALPGFMTFN-CQSZACIVSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.63
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-bromophenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 1202327
3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 3446060
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
5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 4314557
5-(2-methylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446219
methyl 2-[[(5S)-2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl]amino]benzoate
CID 2001632
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
(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
(5R)-3-(2-chloroethyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42416059
5-(2,4-dimethylanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 16643915

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (CID 7345725) is (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is Cc1ccccc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is QURQSALPGFMTFN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-7-5-6-10-13(11)17-14-15(19)18(16(20)21-14)12-8-3-2-4-9-12/h2-10,14,17H,1H3/t14-/m1/s1.
What are the key properties of (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 298.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7345725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).