ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride

C6H12ClNO2S — CID 45357993

IUPACethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CSCN1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeySQRLNYSSTHJCIU-JEDNCBNOSA-N
MW197.69 g/mol
LogP0.63
Rot. Bonds2

About ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride

ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride (PubChem CID 45357993) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride
PubChem CID45357993
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Nameethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CSCN1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeySQRLNYSSTHJCIU-JEDNCBNOSA-N
XLogP0.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4R)-2-oxo-1,3-thiazolidine-4-carboxylate
CID 477571
(R)-1,3-Thiazolidin-3-ium-4-carboxylate
CID 6973609
4-Thiazolidinecarboxylic acid, methyl ester
CID 93329
Thiaproline zwitterion
CID 5081328
Methyl thiazolidine-4-carboxylate hydrochloride
CID 170893
Ethyl 2-oxo-1,3-thiazolidine-4-carboxylate
CID 4176264
methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 45082403
Ethyl thiazolidine-4-carboxylate
CID 103574
ethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 54231762
Methyl 2-methyl-1,3-thiazolidine-4-carboxylate
CID 14377868
Ethyl thiomorpholine-3-carboxylate hydrochloride
CID 17433447
Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate
CID 457392

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride (CID 45357993) is ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride is CCOC(=O)[C@@H]1CSCN1.Cl.
What is the InChIKey of ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride?
The InChIKey is SQRLNYSSTHJCIU-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1.
What are the key properties of ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride?
ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride has a molecular weight of 197.69 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 45357993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).