7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one

C13H9FN2OS2 — CID 135631951

IUPAC7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(-c3cccc(F)c3)csc2c(=O)[nH]1
InChIInChI=1S/C13H9FN2OS2/c1-18-13-15-10-9(6-19-11(10)12(17)16-13)7-3-2-4-8(14)5-7/h2-6H,1H3,(H,15,16,17)
InChIKeyOONDVPMKRZQFOH-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.51
Rot. Bonds2

About 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one

7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135631951) has the molecular formula C13H9FN2OS2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135631951
Molecular FormulaC13H9FN2OS2
Molecular Weight292.36 g/mol
Exact Mass292.01
IUPAC Name7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(-c3cccc(F)c3)csc2c(=O)[nH]1
InChIInChI=1S/C13H9FN2OS2/c1-18-13-15-10-9(6-19-11(10)12(17)16-13)7-3-2-4-8(14)5-7/h2-6H,1H3,(H,15,16,17)
InChIKeyOONDVPMKRZQFOH-UHFFFAOYSA-N
XLogP3.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 135631951) is 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one is CSc1nc2c(-c3cccc(F)c3)csc2c(=O)[nH]1.
What is the InChIKey of 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OONDVPMKRZQFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS2/c1-18-13-15-10-9(6-19-11(10)12(17)16-13)7-3-2-4-8(14)5-7/h2-6H,1H3,(H,15,16,17).
What are the key properties of 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 292.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135631951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).