methyl 1,3-thiazolidine-3-carboxylate

C5H9NO2S — CID 131089637

IUPACmethyl 1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)N1CCSC1
InChIInChI=1S/C5H9NO2S/c1-8-5(7)6-2-3-9-4-6/h2-4H2,1H3
InChIKeyMEJAPWBWPSABJL-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.76
Rot. Bonds

About methyl 1,3-thiazolidine-3-carboxylate

methyl 1,3-thiazolidine-3-carboxylate (PubChem CID 131089637) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is methyl 1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-thiazolidine-3-carboxylate
PubChem CID131089637
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Namemethyl 1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)N1CCSC1
InChIInChI=1S/C5H9NO2S/c1-8-5(7)6-2-3-9-4-6/h2-4H2,1H3
InChIKeyMEJAPWBWPSABJL-UHFFFAOYSA-N
XLogP0.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3-thiazolidine-3-carboxylate?
The IUPAC name of methyl 1,3-thiazolidine-3-carboxylate (CID 131089637) is methyl 1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for methyl 1,3-thiazolidine-3-carboxylate?
The canonical SMILES for methyl 1,3-thiazolidine-3-carboxylate is COC(=O)N1CCSC1.
What is the InChIKey of methyl 1,3-thiazolidine-3-carboxylate?
The InChIKey is MEJAPWBWPSABJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-8-5(7)6-2-3-9-4-6/h2-4H2,1H3.
What are the key properties of methyl 1,3-thiazolidine-3-carboxylate?
methyl 1,3-thiazolidine-3-carboxylate has a molecular weight of 147.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 131089637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).