(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone

C16H13NOS — CID 81148407

IUPAC(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone
SMILESCCc1ccc(C(=O)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C16H13NOS/c1-2-11-3-5-12(6-4-11)16(18)13-9-15-14(17-10-13)7-8-19-15/h3-10H,2H2,1H3
InChIKeyFLUGNNAHOAQSJG-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.09
Rot. Bonds3

About (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone

(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone (PubChem CID 81148407) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone.

Molecular Properties

Compound Name(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone
PubChem CID81148407
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone
SMILESCCc1ccc(C(=O)c2cnc3ccsc3c2)cc1
InChIInChI=1S/C16H13NOS/c1-2-11-3-5-12(6-4-11)16(18)13-9-15-14(17-10-13)7-8-19-15/h3-10H,2H2,1H3
InChIKeyFLUGNNAHOAQSJG-UHFFFAOYSA-N
XLogP4.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone?
The IUPAC name of (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone (CID 81148407) is (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone.
What is the SMILES notation for (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone?
The canonical SMILES for (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone is CCc1ccc(C(=O)c2cnc3ccsc3c2)cc1.
What is the InChIKey of (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone?
The InChIKey is FLUGNNAHOAQSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-2-11-3-5-12(6-4-11)16(18)13-9-15-14(17-10-13)7-8-19-15/h3-10H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone?
(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone has a molecular weight of 267.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone is sourced from PubChem (CID 81148407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).