(5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione

C15H20N2O2S — CID 41024058

IUPAC(5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N[C@H]2SC(=O)N(CC(C)C)C2=O)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-9(2)8-17-14(18)13(20-15(17)19)16-12-6-5-10(3)7-11(12)4/h5-7,9,13,16H,8H2,1-4H3/t13-/m0/s1
InChIKeyRPLBOTMRBQJGIZ-ZDUSSCGKSA-N
MW292.40 g/mol
LogP3.39
Rot. Bonds4

About (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione

(5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 41024058) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
PubChem CID41024058
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N[C@H]2SC(=O)N(CC(C)C)C2=O)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-9(2)8-17-14(18)13(20-15(17)19)16-12-6-5-10(3)7-11(12)4/h5-7,9,13,16H,8H2,1-4H3/t13-/m0/s1
InChIKeyRPLBOTMRBQJGIZ-ZDUSSCGKSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.39
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

3-[(5S)-5-(2,4-dimethylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 51566677
5-(2,4-dimethylanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 16643915
(5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
CID 126154465
(5R)-3-(2-chloroethyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42416059
3-(2,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 17420290
2-[(5S)-5-(3-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 2049934
5-(2,5-dimethylanilino)-3-naphthalen-1-yl-1,3-thiazolidine-2,4-dione
CID 3446223
2-[(5S)-5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2049929
2-[(5R)-5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2049927
2,4-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 43104153
2-(2,4-dimethylphenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 22951280
3-(2,4-dimethylphenyl)-1-(2-methylpropyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110578965

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione (CID 41024058) is (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(N[C@H]2SC(=O)N(CC(C)C)C2=O)c(C)c1.
What is the InChIKey of (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is RPLBOTMRBQJGIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9(2)8-17-14(18)13(20-15(17)19)16-12-6-5-10(3)7-11(12)4/h5-7,9,13,16H,8H2,1-4H3/t13-/m0/s1.
What are the key properties of (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione?
(5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 292.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 41024058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).