2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C10H13N3O3S — CID 58031478

IUPAC2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCN(c2nc(C)c(C(=O)O)s2)C1=O
InChIInChI=1S/C10H13N3O3S/c1-3-12-4-5-13(10(12)16)9-11-6(2)7(17-9)8(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyFFWFDPPJXIHFKA-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.41
Rot. Bonds3

About 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 58031478) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID58031478
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCN(c2nc(C)c(C(=O)O)s2)C1=O
InChIInChI=1S/C10H13N3O3S/c1-3-12-4-5-13(10(12)16)9-11-6(2)7(17-9)8(14)15/h3-5H2,1-2H3,(H,14,15)
InChIKeyFFWFDPPJXIHFKA-UHFFFAOYSA-N
XLogP1.41
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 58031478) is 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is CCN1CCN(c2nc(C)c(C(=O)O)s2)C1=O.
What is the InChIKey of 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FFWFDPPJXIHFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-3-12-4-5-13(10(12)16)9-11-6(2)7(17-9)8(14)15/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58031478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).