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

C10H17NO3S — CID 130399907

IUPACethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate
SMILESCCOC(=O)CC1SC(CC)N(C)C1=O
InChIInChI=1S/C10H17NO3S/c1-4-8-11(3)10(13)7(15-8)6-9(12)14-5-2/h7-8H,4-6H2,1-3H3
InChIKeyDIGFNKGGYKAPQN-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.25
Rot. Bonds4

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

ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate (PubChem CID 130399907) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate
PubChem CID130399907
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate
SMILESCCOC(=O)CC1SC(CC)N(C)C1=O
InChIInChI=1S/C10H17NO3S/c1-4-8-11(3)10(13)7(15-8)6-9(12)14-5-2/h7-8H,4-6H2,1-3H3
InChIKeyDIGFNKGGYKAPQN-UHFFFAOYSA-N
XLogP1.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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
Methyl 2-(1-methyl-2-oxopyrrolidin-3-yl)sulfanylacetate
CID 178336911
Ethyl 2-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
CID 342853
Methyl 4-oxo-4-(2-sulfanylidene-1,3-thiazolidin-3-yl)butanoate
CID 13011432
Ethyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanoate
CID 14989817
Methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanoate
CID 43378323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate (CID 130399907) is ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate is CCOC(=O)CC1SC(CC)N(C)C1=O.
What is the InChIKey of ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
The InChIKey is DIGFNKGGYKAPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-4-8-11(3)10(13)7(15-8)6-9(12)14-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate?
ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate has a molecular weight of 231.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-3-methyl-4-oxo-1,3-thiazolidin-5-yl)acetate is sourced from PubChem (CID 130399907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).