2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid

C14H9FN2O2S2 — CID 162670031

IUPAC2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2cc(-c3ccccc3F)sc12
InChIInChI=1S/C14H9FN2O2S2/c15-9-4-2-1-3-8(9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19)
InChIKeyMSDJXBPKIYACOJ-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.67
Rot. Bonds4

About 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid

2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid (PubChem CID 162670031) has the molecular formula C14H9FN2O2S2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
PubChem CID162670031
Molecular FormulaC14H9FN2O2S2
Molecular Weight320.37 g/mol
Exact Mass320.01
IUPAC Name2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2cc(-c3ccccc3F)sc12
InChIInChI=1S/C14H9FN2O2S2/c15-9-4-2-1-3-8(9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19)
InChIKeyMSDJXBPKIYACOJ-UHFFFAOYSA-N
XLogP3.67
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid (CID 162670031) is 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid is O=C(O)CSc1ncnc2cc(-c3ccccc3F)sc12.
What is the InChIKey of 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
The InChIKey is MSDJXBPKIYACOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S2/c15-9-4-2-1-3-8(9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19).
What are the key properties of 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid?
2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid has a molecular weight of 320.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid is sourced from PubChem (CID 162670031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).