[2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate

C16H13NO3S — CID 14277623

IUPAC[2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate
SMILESCOc1ccc(-c2sc3cccnc3c2OC(C)=O)cc1
InChIInChI=1S/C16H13NO3S/c1-10(18)20-15-14-13(4-3-9-17-14)21-16(15)11-5-7-12(19-2)8-6-11/h3-9H,1-2H3
InChIKeyPTCQIUSQHBHZGY-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.90
Rot. Bonds3

About [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate

[2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate (PubChem CID 14277623) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate
PubChem CID14277623
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name[2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate
SMILESCOc1ccc(-c2sc3cccnc3c2OC(C)=O)cc1
InChIInChI=1S/C16H13NO3S/c1-10(18)20-15-14-13(4-3-9-17-14)21-16(15)11-5-7-12(19-2)8-6-11/h3-9H,1-2H3
InChIKeyPTCQIUSQHBHZGY-UHFFFAOYSA-N
XLogP3.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate?
The IUPAC name of [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate (CID 14277623) is [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate?
The canonical SMILES for [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate is COc1ccc(-c2sc3cccnc3c2OC(C)=O)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate?
The InChIKey is PTCQIUSQHBHZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-10(18)20-15-14-13(4-3-9-17-14)21-16(15)11-5-7-12(19-2)8-6-11/h3-9H,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate?
[2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate has a molecular weight of 299.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)thieno[3,2-b]pyridin-3-yl] acetate is sourced from PubChem (CID 14277623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).