2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide

C6H8N2O3S — CID 130650920

IUPAC2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)CSC1=O
InChIInChI=1S/C6H8N2O3S/c1-3(5(7)10)8-4(9)2-12-6(8)11/h3H,2H2,1H3,(H2,7,10)
InChIKeyMUXCWYVKWPGSSK-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.44
Rot. Bonds2

About 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide

2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 130650920) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID130650920
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)CSC1=O
InChIInChI=1S/C6H8N2O3S/c1-3(5(7)10)8-4(9)2-12-6(8)11/h3H,2H2,1H3,(H2,7,10)
InChIKeyMUXCWYVKWPGSSK-UHFFFAOYSA-N
XLogP-0.44
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-2-amino-3-(2,4-dioxo-1,3-thiazolidin-3-yl)butanoate
CID 99737774
3-(1-aminopropan-2-yl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86262726
3-[(3S)-2,4-dimethylpent-1-en-3-yl]-1,3-thiazolidine-2,4-dione
CID 11658566
2-(2,4,6-trioxo-1,3-diazinan-1-yl)propanamide
CID 112597783
2-iodo-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 57468290
2-[2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)propanoylamino]propanamide
CID 88866106
2-methylidene-3-propan-2-yl-1,3-thiazolidin-4-one
CID 145121125
2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 87421132
methyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)-3-(1-methylimidazol-4-yl)propanoate
CID 87278147
methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 143300675
4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one
CID 82506166
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide (CID 130650920) is 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide is CC(C(N)=O)N1C(=O)CSC1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is MUXCWYVKWPGSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-3(5(7)10)8-4(9)2-12-6(8)11/h3H,2H2,1H3,(H2,7,10).
What are the key properties of 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 188.21 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 130650920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).