2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide

C14H10FN3O2S — CID 2085254

IUPAC2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H10FN3O2S/c15-9-3-1-8(2-4-9)10-6-21-14-12(10)13(17-7-18-14)20-5-11(16)19/h1-4,6-7H,5H2,(H2,16,19)
InChIKeyJEMNPFGJHLXBRG-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.36
Rot. Bonds4

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

2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (PubChem CID 2085254) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
PubChem CID2085254
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
SMILESNC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H10FN3O2S/c15-9-3-1-8(2-4-9)10-6-21-14-12(10)13(17-7-18-14)20-5-11(16)19/h1-4,6-7H,5H2,(H2,16,19)
InChIKeyJEMNPFGJHLXBRG-UHFFFAOYSA-N
XLogP2.36
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.36
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]oxyacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide (CID 2085254) is 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide is NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
The InChIKey is JEMNPFGJHLXBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-9-3-1-8(2-4-9)10-6-21-14-12(10)13(17-7-18-14)20-5-11(16)19/h1-4,6-7H,5H2,(H2,16,19).
What are the key properties of 2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide?
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide has a molecular weight of 303.32 g/mol, XLogP of 2.36, 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]oxyacetamide is sourced from PubChem (CID 2085254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).