2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one

C10H8N2O2S2 — CID 2342824

IUPAC2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)c1cccs1
InChIInChI=1S/C10H8N2O2S2/c13-7(8-2-1-5-15-8)6-16-10-11-4-3-9(14)12-10/h1-5H,6H2,(H,11,12,14)
InChIKeyNDSPDZDJVKHPDF-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.81
Rot. Bonds4

About 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one

2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 2342824) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID2342824
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)c1cccs1
InChIInChI=1S/C10H8N2O2S2/c13-7(8-2-1-5-15-8)6-16-10-11-4-3-9(14)12-10/h1-5H,6H2,(H,11,12,14)
InChIKeyNDSPDZDJVKHPDF-UHFFFAOYSA-N
XLogP1.81
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 2342824) is 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nccc(=O)[nH]1)c1cccs1.
What is the InChIKey of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is NDSPDZDJVKHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-7(8-2-1-5-15-8)6-16-10-11-4-3-9(14)12-10/h1-5H,6H2,(H,11,12,14).
What are the key properties of 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 2342824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).