ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate

C10H17NO3S — CID 59554935

IUPACethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate
SMILESCCOC(=O)CC1SC(C)(C)N(C)C1=O
InChIInChI=1S/C10H17NO3S/c1-5-14-8(12)6-7-9(13)11(4)10(2,3)15-7/h7H,5-6H2,1-4H3
InChIKeyYPTBQDVIEPZFAH-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.25
Rot. Bonds3

About ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate

ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate (PubChem CID 59554935) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate
PubChem CID59554935
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate
SMILESCCOC(=O)CC1SC(C)(C)N(C)C1=O
InChIInChI=1S/C10H17NO3S/c1-5-14-8(12)6-7-9(13)11(4)10(2,3)15-7/h7H,5-6H2,1-4H3
InChIKeyYPTBQDVIEPZFAH-UHFFFAOYSA-N
XLogP1.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-oxo-4-(3-(pyrrolidin-1-ylmethyl)-1,4-thiazepan-4-yl)butanoate
CID 71801782
1-[2-[(Ethoxycarbonyl)methylthio]ethyl]-2-pyrrolidinone
CID 59747000
Ethyl [4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetate
CID 12562591
Methyl [4-oxo-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetate
CID 84819201
1-[2-[(Ethoxycarbonyl)methylthio]propyl]-2-pyrrolidinone
CID 129807225
1-[3-[(Ethoxycarbonyl)methylthio]propyl]-2-pyrrolidone
CID 129807347
Methyl (4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
CID 132275928
Ethyl 2-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
CID 342853
Ethyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanoate
CID 14989817
2-(2,2,3-Trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetic acid
CID 59555264
Ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate
CID 59555282
1-Tert-butyl-3-tert-butylsulfanyl-5-methoxypyrrolidin-2-one
CID 118284553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate (CID 59554935) is ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate is CCOC(=O)CC1SC(C)(C)N(C)C1=O.
What is the InChIKey of ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The InChIKey is YPTBQDVIEPZFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-5-14-8(12)6-7-9(13)11(4)10(2,3)15-7/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate has a molecular weight of 231.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)acetate is sourced from PubChem (CID 59554935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).