6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one

C17H11FN2OS2 — CID 139012800

IUPAC6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cscc1-c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1
InChIInChI=1S/C17H11FN2OS2/c1-9-7-22-8-12(9)16-19-13-6-14(23-15(13)17(21)20-16)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,19,20,21)
InChIKeyUFZPXIXKRRDJSP-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.83
Rot. Bonds2

About 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one

6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 139012800) has the molecular formula C17H11FN2OS2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID139012800
Molecular FormulaC17H11FN2OS2
Molecular Weight342.42 g/mol
Exact Mass342.03
IUPAC Name6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cscc1-c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1
InChIInChI=1S/C17H11FN2OS2/c1-9-7-22-8-12(9)16-19-13-6-14(23-15(13)17(21)20-16)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,19,20,21)
InChIKeyUFZPXIXKRRDJSP-UHFFFAOYSA-N
XLogP4.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 139012800) is 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1cscc1-c1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is UFZPXIXKRRDJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2OS2/c1-9-7-22-8-12(9)16-19-13-6-14(23-15(13)17(21)20-16)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,19,20,21).
What are the key properties of 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 342.42 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(4-methylthiophen-3-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 139012800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).