(5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione

C15H19NO2S — CID 126154465

IUPAC(5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C15H19NO2S/c1-10(2)9-16-14(17)13(19-15(16)18)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyYHTYXPCGNQEEKC-ZDUSSCGKSA-N
MW277.39 g/mol
LogP3.26
Rot. Bonds4

About (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione

(5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126154465) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
PubChem CID126154465
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C15H19NO2S/c1-10(2)9-16-14(17)13(19-15(16)18)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyYHTYXPCGNQEEKC-ZDUSSCGKSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-methoxy-5-[[3-(2-methylpropyl)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenyl]propane-1-sulfonic acid
CID 175286723
(5S)-5-(2,4-dimethylanilino)-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
CID 41024058
(5R)-5-benzyl-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126150111
(5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156151
N-hydroxy-2-[7-methyl-2-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetamide
CID 21303124
7-hydroxy-2-[(4-methylphenyl)methyl]-4-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 82229281
(5R)-3-[(4-chlorophenyl)methyl]-5-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 126148726
(5S)-3-[(4-methoxyphenyl)methyl]-5-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126153607
(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 947701
(5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156293
(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156292
N-(4-fluorophenyl)-2-[(5S)-2-(4-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7974243

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione (CID 126154465) is (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)cc1.
What is the InChIKey of (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is YHTYXPCGNQEEKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10(2)9-16-14(17)13(19-15(16)18)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione?
(5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 277.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-methylphenyl)methyl]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126154465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).