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

C7H11NO3S — CID 70567228

IUPACmethyl 3-acetyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(C)=O
InChIInChI=1S/C7H11NO3S/c1-5(9)8-4-12-3-6(8)7(10)11-2/h6H,3-4H2,1-2H3
InChIKeyZUWKFZCERVATHR-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.08
Rot. Bonds1

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

methyl 3-acetyl-1,3-thiazolidine-4-carboxylate (PubChem CID 70567228) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is methyl 3-acetyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetyl-1,3-thiazolidine-4-carboxylate
PubChem CID70567228
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Namemethyl 3-acetyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(C)=O
InChIInChI=1S/C7H11NO3S/c1-5(9)8-4-12-3-6(8)7(10)11-2/h6H,3-4H2,1-2H3
InChIKeyZUWKFZCERVATHR-UHFFFAOYSA-N
XLogP0.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-acetyl-1,3-thiazolidine-4-carboxylate (CID 70567228) is methyl 3-acetyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-acetyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-acetyl-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1C(C)=O.
What is the InChIKey of methyl 3-acetyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is ZUWKFZCERVATHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-5(9)8-4-12-3-6(8)7(10)11-2/h6H,3-4H2,1-2H3.
What are the key properties of methyl 3-acetyl-1,3-thiazolidine-4-carboxylate?
methyl 3-acetyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 189.24 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 70567228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).