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

C6H11NO2S — CID 14377868

IUPACmethyl 2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(C)N1
InChIInChI=1S/C6H11NO2S/c1-4-7-5(3-10-4)6(8)9-2/h4-5,7H,3H2,1-2H3
InChIKeySIHORGCAHLFPHD-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.21
Rot. Bonds1

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

methyl 2-methyl-1,3-thiazolidine-4-carboxylate (PubChem CID 14377868) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is methyl 2-methyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,3-thiazolidine-4-carboxylate
PubChem CID14377868
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Namemethyl 2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSC(C)N1
InChIInChI=1S/C6H11NO2S/c1-4-7-5(3-10-4)6(8)9-2/h4-5,7H,3H2,1-2H3
InChIKeySIHORGCAHLFPHD-UHFFFAOYSA-N
XLogP0.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-methyl-1,3-thiazolidine-4-carboxylate (CID 14377868) is methyl 2-methyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-methyl-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSC(C)N1.
What is the InChIKey of methyl 2-methyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is SIHORGCAHLFPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4-7-5(3-10-4)6(8)9-2/h4-5,7H,3H2,1-2H3.
What are the key properties of methyl 2-methyl-1,3-thiazolidine-4-carboxylate?
methyl 2-methyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 161.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 14377868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).