2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C18H14N2O2S2 — CID 2556334

IUPAC2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1
InChIInChI=1S/C18H14N2O2S2/c1-2-22-12-7-5-11(6-8-12)16-19-17(21)15-13(10-24-18(15)20-16)14-4-3-9-23-14/h3-10H,2H2,1H3,(H,19,20,21)
InChIKeyALWUDACSGSWMTE-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.78
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2556334) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2556334
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC Name2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1
InChIInChI=1S/C18H14N2O2S2/c1-2-22-12-7-5-11(6-8-12)16-19-17(21)15-13(10-24-18(15)20-16)14-4-3-9-23-14/h3-10H,2H2,1H3,(H,19,20,21)
InChIKeyALWUDACSGSWMTE-UHFFFAOYSA-N
XLogP4.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2556334) is 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is CCOc1ccc(-c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ALWUDACSGSWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c1-2-22-12-7-5-11(6-8-12)16-19-17(21)15-13(10-24-18(15)20-16)14-4-3-9-23-14/h3-10H,2H2,1H3,(H,19,20,21).
What are the key properties of 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 354.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2556334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).