3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one

C15H14N2OS2 — CID 8899177

IUPAC3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2sccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H14N2OS2/c1-10(2)20-15-16-13-12(8-9-19-13)14(18)17(15)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyJEWYCOWHMMZNTK-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.95
Rot. Bonds3

About 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one

3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 8899177) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID8899177
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2sccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H14N2OS2/c1-10(2)20-15-16-13-12(8-9-19-13)14(18)17(15)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyJEWYCOWHMMZNTK-UHFFFAOYSA-N
XLogP3.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one (CID 8899177) is 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one is CC(C)Sc1nc2sccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is JEWYCOWHMMZNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-10(2)20-15-16-13-12(8-9-19-13)14(18)17(15)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 302.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 8899177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).