3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide

C7H10N2O2S — CID 155705016

IUPAC3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESC=C1SCC(=O)N1CCC(N)=O
InChIInChI=1S/C7H10N2O2S/c1-5-9(3-2-6(8)10)7(11)4-12-5/h1-4H2,(H2,8,10)
InChIKeyLVPFBWHZYVMFFV-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.09
Rot. Bonds3

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

3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 155705016) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID155705016
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESC=C1SCC(=O)N1CCC(N)=O
InChIInChI=1S/C7H10N2O2S/c1-5-9(3-2-6(8)10)7(11)4-12-5/h1-4H2,(H2,8,10)
InChIKeyLVPFBWHZYVMFFV-UHFFFAOYSA-N
XLogP-0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide (CID 155705016) is 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide is C=C1SCC(=O)N1CCC(N)=O.
What is the InChIKey of 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is LVPFBWHZYVMFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-9(3-2-6(8)10)7(11)4-12-5/h1-4H2,(H2,8,10).
What are the key properties of 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide?
3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 186.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidene-4-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 155705016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).