1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol

C20H16N2OS2 — CID 55410354

IUPAC1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
SMILESOC(CSc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C20H16N2OS2/c23-17(14-7-3-1-4-8-14)12-24-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-11,13,17,23H,12H2
InChIKeyUEPLUAOREGTGGY-UHFFFAOYSA-N
MW364.50 g/mol
LogP5.18
Rot. Bonds5

About 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol

1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol (PubChem CID 55410354) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
PubChem CID55410354
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC Name1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
SMILESOC(CSc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C20H16N2OS2/c23-17(14-7-3-1-4-8-14)12-24-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-11,13,17,23H,12H2
InChIKeyUEPLUAOREGTGGY-UHFFFAOYSA-N
XLogP5.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol (CID 55410354) is 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol is OC(CSc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The InChIKey is UEPLUAOREGTGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c23-17(14-7-3-1-4-8-14)12-24-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-11,13,17,23H,12H2.
What are the key properties of 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol has a molecular weight of 364.50 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 55410354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).