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

C6H11NO2S — CID 58783481

IUPACmethyl 4-methyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)N1CSCC1C
InChIInChI=1S/C6H11NO2S/c1-5-3-10-4-7(5)6(8)9-2/h5H,3-4H2,1-2H3
InChIKeyVMMMCBFJHPQCQG-UHFFFAOYSA-N
MW161.23 g/mol
LogP1.15
Rot. Bonds

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

methyl 4-methyl-1,3-thiazolidine-3-carboxylate (PubChem CID 58783481) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is methyl 4-methyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1,3-thiazolidine-3-carboxylate
PubChem CID58783481
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Namemethyl 4-methyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)N1CSCC1C
InChIInChI=1S/C6H11NO2S/c1-5-3-10-4-7(5)6(8)9-2/h5H,3-4H2,1-2H3
InChIKeyVMMMCBFJHPQCQG-UHFFFAOYSA-N
XLogP1.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of methyl 4-methyl-1,3-thiazolidine-3-carboxylate (CID 58783481) is methyl 4-methyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1,3-thiazolidine-3-carboxylate is COC(=O)N1CSCC1C.
What is the InChIKey of methyl 4-methyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is VMMMCBFJHPQCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-5-3-10-4-7(5)6(8)9-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 4-methyl-1,3-thiazolidine-3-carboxylate?
methyl 4-methyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 161.23 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 58783481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).