5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid

C11H13NO2S — CID 121222060

IUPAC5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid
SMILESCC1(C(=O)O)SCNC1c1ccccc1
InChIInChI=1S/C11H13NO2S/c1-11(10(13)14)9(12-7-15-11)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,13,14)
InChIKeyMVZHHTKTYIODDJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.86
Rot. Bonds2

About 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid

5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid (PubChem CID 121222060) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid
PubChem CID121222060
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid
SMILESCC1(C(=O)O)SCNC1c1ccccc1
InChIInChI=1S/C11H13NO2S/c1-11(10(13)14)9(12-7-15-11)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,13,14)
InChIKeyMVZHHTKTYIODDJ-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 99992019
dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 101203349
5-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 122111154
2-methyl-4-phenylimidazolidine-2-carboxylic acid
CID 68755333
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
acetic acid;2,5-diphenylpiperazine
CID 157254746
3-methyl-2,3-diphenylpyrrolidine
CID 62722920
5-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 21253300
(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl) acetate
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CID 95374662

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid (CID 121222060) is 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid is CC1(C(=O)O)SCNC1c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is MVZHHTKTYIODDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-11(10(13)14)9(12-7-15-11)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid?
5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 223.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 121222060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).