2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate

C7H8NO4S- — CID 6983861

IUPAC2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
SMILESCCN1C(=O)S[C@H](CC(=O)[O-])C1=O
InChIInChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/p-1/t4-/m1/s1
InChIKeyOEXQUQKCOPKASO-SCSAIBSYSA-M
MW202.21 g/mol
LogP-0.79
Rot. Bonds3

About 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate

2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate (PubChem CID 6983861) has the molecular formula C7H8NO4S- and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate.

Molecular Properties

Compound Name2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
PubChem CID6983861
Molecular FormulaC7H8NO4S-
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC Name2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
SMILESCCN1C(=O)S[C@H](CC(=O)[O-])C1=O
InChIInChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/p-1/t4-/m1/s1
InChIKeyOEXQUQKCOPKASO-SCSAIBSYSA-M
XLogP-0.79
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(3-Ethyl-2,4-dioxo-thiazolidin-5-yl)-acetic acid
CID 2793672
(3-Methyl-2,4-dioxo-thiazolidin-5-yl)-acetic acid
CID 2793673
2-(3-Butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 12562600
2-(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 59121438
2-[(5S)-3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
CID 125475773
Methyl (4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
CID 132275928
2-(4-Oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetic acid
CID 132517772
(2,4-Dioxo-3-propyl-1,3-thiazolidin-5-YL)acetic acid
CID 2793671
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
2-Acetylsulfanyl-4-(2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 22639894
4-(2,4-Dioxothiazolidin-3-yl)butanoic acid
CID 30059556

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate?
The IUPAC name of 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate (CID 6983861) is 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate.
What is the SMILES notation for 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate?
The canonical SMILES for 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate is CCN1C(=O)S[C@H](CC(=O)[O-])C1=O.
What is the InChIKey of 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate?
The InChIKey is OEXQUQKCOPKASO-SCSAIBSYSA-M. The full InChI is InChI=1S/C7H9NO4S/c1-2-8-6(11)4(3-5(9)10)13-7(8)12/h4H,2-3H2,1H3,(H,9,10)/p-1/t4-/m1/s1.
What are the key properties of 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate?
2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate has a molecular weight of 202.21 g/mol, XLogP of -0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-yl]acetate is sourced from PubChem (CID 6983861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).