(2-phenylthieno[3,2-b]pyridin-3-yl) acetate

C15H11NO2S — CID 134841691

IUPAC(2-phenylthieno[3,2-b]pyridin-3-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)sc2cccnc12
InChIInChI=1S/C15H11NO2S/c1-10(17)18-14-13-12(8-5-9-16-13)19-15(14)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyYPTRAKCSUTYOIR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.89
Rot. Bonds2

About (2-phenylthieno[3,2-b]pyridin-3-yl) acetate

(2-phenylthieno[3,2-b]pyridin-3-yl) acetate (PubChem CID 134841691) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is (2-phenylthieno[3,2-b]pyridin-3-yl) acetate.

Molecular Properties

Compound Name(2-phenylthieno[3,2-b]pyridin-3-yl) acetate
PubChem CID134841691
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name(2-phenylthieno[3,2-b]pyridin-3-yl) acetate
SMILESCC(=O)Oc1c(-c2ccccc2)sc2cccnc12
InChIInChI=1S/C15H11NO2S/c1-10(17)18-14-13-12(8-5-9-16-13)19-15(14)11-6-3-2-4-7-11/h2-9H,1H3
InChIKeyYPTRAKCSUTYOIR-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenylthieno[3,2-b]pyridin-3-yl) acetate?
The IUPAC name of (2-phenylthieno[3,2-b]pyridin-3-yl) acetate (CID 134841691) is (2-phenylthieno[3,2-b]pyridin-3-yl) acetate.
What is the SMILES notation for (2-phenylthieno[3,2-b]pyridin-3-yl) acetate?
The canonical SMILES for (2-phenylthieno[3,2-b]pyridin-3-yl) acetate is CC(=O)Oc1c(-c2ccccc2)sc2cccnc12.
What is the InChIKey of (2-phenylthieno[3,2-b]pyridin-3-yl) acetate?
The InChIKey is YPTRAKCSUTYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-10(17)18-14-13-12(8-5-9-16-13)19-15(14)11-6-3-2-4-7-11/h2-9H,1H3.
What are the key properties of (2-phenylthieno[3,2-b]pyridin-3-yl) acetate?
(2-phenylthieno[3,2-b]pyridin-3-yl) acetate has a molecular weight of 269.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylthieno[3,2-b]pyridin-3-yl) acetate is sourced from PubChem (CID 134841691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).