1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one

C15H11FN2OS2 — CID 733168

IUPAC1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one
SMILESCC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H11FN2OS2/c1-9(19)6-20-14-13-12(7-21-15(13)18-8-17-14)10-2-4-11(16)5-3-10/h2-5,7-8H,6H2,1H3
InChIKeyGCWJVVWFDHTXFI-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.18
Rot. Bonds4

About 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one

1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one (PubChem CID 733168) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one
PubChem CID733168
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC Name1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one
SMILESCC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H11FN2OS2/c1-9(19)6-20-14-13-12(7-21-15(13)18-8-17-14)10-2-4-11(16)5-3-10/h2-5,7-8H,6H2,1H3
InChIKeyGCWJVVWFDHTXFI-UHFFFAOYSA-N
XLogP4.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one?
The IUPAC name of 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one (CID 733168) is 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one is CC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one?
The InChIKey is GCWJVVWFDHTXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c1-9(19)6-20-14-13-12(7-21-15(13)18-8-17-14)10-2-4-11(16)5-3-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one?
1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one has a molecular weight of 318.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-2-one is sourced from PubChem (CID 733168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).