2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide

C15H12FN3O2S — CID 2408452

IUPAC2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H12FN3O2S/c1-17-12(20)6-21-14-13-11(7-22-15(13)19-8-18-14)9-2-4-10(16)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,20)
InChIKeyXFBFWAPXJZYBRI-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.62
Rot. Bonds4

About 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide

2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide (PubChem CID 2408452) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide
PubChem CID2408452
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide
SMILESCNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H12FN3O2S/c1-17-12(20)6-21-14-13-11(7-22-15(13)19-8-18-14)9-2-4-10(16)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,20)
InChIKeyXFBFWAPXJZYBRI-UHFFFAOYSA-N
XLogP2.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide (CID 2408452) is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide is CNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide?
The InChIKey is XFBFWAPXJZYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-17-12(20)6-21-14-13-11(7-22-15(13)19-8-18-14)9-2-4-10(16)5-3-9/h2-5,7-8H,6H2,1H3,(H,17,20).
What are the key properties of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide?
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide has a molecular weight of 317.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide is sourced from PubChem (CID 2408452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).