2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid

C13H17NO2S — CID 80500608

IUPAC2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(CCc2ccccc2)NC(C(=O)O)CS1
InChIInChI=1S/C13H17NO2S/c1-13(14-11(9-17-13)12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16)
InChIKeyMPDDRQLQNSVVQI-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.12
Rot. Bonds4

About 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80500608) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID80500608
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(CCc2ccccc2)NC(C(=O)O)CS1
InChIInChI=1S/C13H17NO2S/c1-13(14-11(9-17-13)12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16)
InChIKeyMPDDRQLQNSVVQI-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid 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

2-benzyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 80500514
(4R)-2-benzyl-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 153321239
3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 105360048
2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80500611
1',1'-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydronaphthalene]-4-carboxylic acid
CID 80500616
2-butyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 174562699
(3R)-8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 1239785
(4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 130825758
(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 67704629
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid
CID 107773945
(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydrothiochromene]-4-carboxylic acid
CID 107774058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid (CID 80500608) is 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid is CC1(CCc2ccccc2)NC(C(=O)O)CS1.
What is the InChIKey of 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MPDDRQLQNSVVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-13(14-11(9-17-13)12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 251.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80500608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).