methyl 2-phenyl-1,3-thiazolidine-4-carboxylate

C11H13NO2S — CID 14790914

IUPACmethyl 2-phenyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccccc2)N1
InChIInChI=1S/C11H13NO2S/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3
InChIKeySGFAUQHDEFHPAQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.56
Rot. Bonds2

About methyl 2-phenyl-1,3-thiazolidine-4-carboxylate

methyl 2-phenyl-1,3-thiazolidine-4-carboxylate (PubChem CID 14790914) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is methyl 2-phenyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-1,3-thiazolidine-4-carboxylate
PubChem CID14790914
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Namemethyl 2-phenyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(c2ccccc2)N1
InChIInChI=1S/C11H13NO2S/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3
InChIKeySGFAUQHDEFHPAQ-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(2-phenyl-1,3-thiazolidin-4-yl)methanone
CID 69035805
2-phenyl-1,3-thiazolidine-4-carbohydrazide
CID 3064949
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 5170925
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
(4R)-2-(4-acetamidophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11242572
ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 12748111
2-phenyl-1,3-thiazinane-4-carboxylic acid
CID 60919404
dimethyl (2R,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 7010165
dimethyl (2S,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 28775163
methyl 6-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f][1,4]benzothiazine-2-carboxylate
CID 113306186

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-phenyl-1,3-thiazolidine-4-carboxylate (CID 14790914) is methyl 2-phenyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-phenyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-phenyl-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSC(c2ccccc2)N1.
What is the InChIKey of methyl 2-phenyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is SGFAUQHDEFHPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-14-11(13)9-7-15-10(12-9)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3.
What are the key properties of methyl 2-phenyl-1,3-thiazolidine-4-carboxylate?
methyl 2-phenyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 223.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 14790914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).