propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate

C8H13NO3S — CID 140969829

IUPACpropyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate
SMILESCCCOC(=O)CC1NC(=O)CS1
InChIInChI=1S/C8H13NO3S/c1-2-3-12-8(11)4-7-9-6(10)5-13-7/h7H,2-5H2,1H3,(H,9,10)
InChIKeyCLAMMSLFRAFPFE-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.52
Rot. Bonds4

About propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate

propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate (PubChem CID 140969829) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate
PubChem CID140969829
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Namepropyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate
SMILESCCCOC(=O)CC1NC(=O)CS1
InChIInChI=1S/C8H13NO3S/c1-2-3-12-8(11)4-7-9-6(10)5-13-7/h7H,2-5H2,1H3,(H,9,10)
InChIKeyCLAMMSLFRAFPFE-UHFFFAOYSA-N
XLogP0.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(5-oxopyrrolidin-2-yl)sulfanylpropanoate
CID 44364602
Ethyl 3-[(5-oxo-2-pyrrolidinyl)thio]propanoate
CID 44364637
Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate
CID 366931
Ethyl 2-(thiazolidin-2-yl)acetate
CID 294077
2-Thiazolidineacetic acid, 2-methyl-, ethyl ester
CID 432441
Ethyl 2-(2-methyl-1,3-thiazolidin-2-yl)acetate;hydrobromide
CID 24198943
Ethyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
CID 10420016
Ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate
CID 21297223
ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate
CID 70429766
N-(3-tert-butylsulfanyl-propyl)-malonamic acid ethyl ester
CID 86633578
Methyl 2-methyl-1,3-thiazolidine-5-carboxylate
CID 90117907
3-(3-Methylsulfanylpropanoylamino)propyl 3-methylsulfanylpropanoate
CID 118604295

Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate?
The IUPAC name of propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate (CID 140969829) is propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate.
What is the SMILES notation for propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate?
The canonical SMILES for propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate is CCCOC(=O)CC1NC(=O)CS1.
What is the InChIKey of propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate?
The InChIKey is CLAMMSLFRAFPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-3-12-8(11)4-7-9-6(10)5-13-7/h7H,2-5H2,1H3,(H,9,10).
What are the key properties of propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate?
propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate has a molecular weight of 203.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-oxo-1,3-thiazolidin-2-yl)acetate is sourced from PubChem (CID 140969829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).