ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate

C12H14ClNO2S — CID 12748111

IUPACethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CSC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C12H14ClNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-6,10-11,14H,2,7H2,1H3/t10-,11?/m0/s1
InChIKeyHCDILEJIGQCDBH-VUWPPUDQSA-N
MW271.77 g/mol
LogP2.61
Rot. Bonds3

About ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate

ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 12748111) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID12748111
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Nameethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CSC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C12H14ClNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-6,10-11,14H,2,7H2,1H3/t10-,11?/m0/s1
InChIKeyHCDILEJIGQCDBH-VUWPPUDQSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R,4R)-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000704
ethyl (2S,4S)-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000641
ethyl 3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 78120546
ethyl (2S,4R)-2-(2-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000702
methyl 2-phenyl-1,3-thiazolidine-4-carboxylate
CID 14790914
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
propan-2-yl 2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 5170925
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]furan-2-yl]-1,3-thiazolidine-4-carboxylate
CID 139413519
(2S,4R)-2-(5-chloro-2-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 817643
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
(2S,4R)-2-(3,4-diethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 703230

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate (CID 12748111) is ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate is CCOC(=O)[C@@H]1CSC(c2ccc(Cl)cc2)N1.
What is the InChIKey of ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is HCDILEJIGQCDBH-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-6,10-11,14H,2,7H2,1H3/t10-,11?/m0/s1.
What are the key properties of ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate?
ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 271.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 12748111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).