2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone

C13H8BrNOS2 — CID 81147988

IUPAC2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
SMILESO=C(Cc1cc(Br)cs1)c1cnc2ccsc2c1
InChIInChI=1S/C13H8BrNOS2/c14-9-4-10(18-7-9)5-12(16)8-3-13-11(15-6-8)1-2-17-13/h1-4,6-7H,5H2
InChIKeyPSZDUKAIOPSXTH-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.55
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone

2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone (PubChem CID 81147988) has the molecular formula C13H8BrNOS2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
PubChem CID81147988
Molecular FormulaC13H8BrNOS2
Molecular Weight338.25 g/mol
Exact Mass336.92
IUPAC Name2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
SMILESO=C(Cc1cc(Br)cs1)c1cnc2ccsc2c1
InChIInChI=1S/C13H8BrNOS2/c14-9-4-10(18-7-9)5-12(16)8-3-13-11(15-6-8)1-2-17-13/h1-4,6-7H,5H2
InChIKeyPSZDUKAIOPSXTH-UHFFFAOYSA-N
XLogP4.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 83171844
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146391
2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81148519
1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
CID 81147974
1-thieno[3,2-b]pyridin-6-ylhexan-1-one
CID 81148126
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
CID 81146669
2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146664
2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969477
phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone (CID 81147988) is 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone is O=C(Cc1cc(Br)cs1)c1cnc2ccsc2c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The InChIKey is PSZDUKAIOPSXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOS2/c14-9-4-10(18-7-9)5-12(16)8-3-13-11(15-6-8)1-2-17-13/h1-4,6-7H,5H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone?
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone has a molecular weight of 338.25 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone is sourced from PubChem (CID 81147988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).