2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid

C13H14N2O3S2 — CID 63292054

IUPAC2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid
SMILESCC(Cc1cccs1)n1ccc(=O)nc1SCC(=O)O
InChIInChI=1S/C13H14N2O3S2/c1-9(7-10-3-2-6-19-10)15-5-4-11(16)14-13(15)20-8-12(17)18/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyKZPLLIGVNSFMJW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.29
Rot. Bonds6

About 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid

2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid (PubChem CID 63292054) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid
PubChem CID63292054
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid
SMILESCC(Cc1cccs1)n1ccc(=O)nc1SCC(=O)O
InChIInChI=1S/C13H14N2O3S2/c1-9(7-10-3-2-6-19-10)15-5-4-11(16)14-13(15)20-8-12(17)18/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyKZPLLIGVNSFMJW-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-oxo-1-pentan-2-ylpyrimidin-2-yl)sulfanylacetic acid
CID 62403638
2-[1-(1-morpholin-4-ylpropan-2-yl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404524
2-[1-[1-(3-fluorophenyl)ethyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62405048
2-[1-(dicyclopropylmethyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403816
2-[1-(1-cyclohexylpropyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62407401
2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404880
2-[1-[3-(butan-2-ylamino)-3-oxopropyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403103
2-[1-(2,6-difluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403472
2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62402584
2-[1-[4-(dimethylamino)phenyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403628
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid (CID 63292054) is 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid is CC(Cc1cccs1)n1ccc(=O)nc1SCC(=O)O.
What is the InChIKey of 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid?
The InChIKey is KZPLLIGVNSFMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9(7-10-3-2-6-19-10)15-5-4-11(16)14-13(15)20-8-12(17)18/h2-6,9H,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid?
2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid has a molecular weight of 310.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 63292054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).