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

C19H12FN3O2S — CID 9108865

IUPAC4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
SMILESNC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C19H12FN3O2S/c20-13-5-1-11(2-6-13)15-9-26-19-16(15)18(22-10-23-19)25-14-7-3-12(4-8-14)17(21)24/h1-10H,(H2,21,24)
InChIKeyUBAQRPKSEXSXRU-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.39
Rot. Bonds4

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

4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide (PubChem CID 9108865) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
PubChem CID9108865
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC Name4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
SMILESNC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C19H12FN3O2S/c20-13-5-1-11(2-6-13)15-9-26-19-16(15)18(22-10-23-19)25-14-7-3-12(4-8-14)17(21)24/h1-10H,(H2,21,24)
InChIKeyUBAQRPKSEXSXRU-UHFFFAOYSA-N
XLogP4.39
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The IUPAC name of 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide (CID 9108865) is 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide is NC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The InChIKey is UBAQRPKSEXSXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c20-13-5-1-11(2-6-13)15-9-26-19-16(15)18(22-10-23-19)25-14-7-3-12(4-8-14)17(21)24/h1-10H,(H2,21,24).
What are the key properties of 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide has a molecular weight of 365.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 9108865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).