2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone

C9H10BrNOS — CID 116582391

IUPAC2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone
SMILESO=C(CC1CNC1)c1cscc1Br
InChIInChI=1S/C9H10BrNOS/c10-8-5-13-4-7(8)9(12)1-6-2-11-3-6/h4-6,11H,1-3H2
InChIKeyHDPRNKLXPMRPLS-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.30
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone

2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone (PubChem CID 116582391) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone
PubChem CID116582391
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone
SMILESO=C(CC1CNC1)c1cscc1Br
InChIInChI=1S/C9H10BrNOS/c10-8-5-13-4-7(8)9(12)1-6-2-11-3-6/h4-6,11H,1-3H2
InChIKeyHDPRNKLXPMRPLS-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromothiophen-3-yl)ethanone
CID 116588402
1-(4-bromothiophen-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167972
1-(4-bromothiophen-3-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116593567
1-(2-aminophenyl)-2-(azetidin-3-yl)ethanone
CID 84662697
2-(azetidin-3-yl)-1-thiophen-3-ylethanone
CID 116582227
1-(4-bromothiophen-3-yl)-2-(1-methylcyclopropyl)ethanone
CID 130914229
1-(4-bromothiophen-3-yl)-3,3,3-trifluoropropan-1-one
CID 79596487
1-(4-bromothiophen-3-yl)-4-hydroxybutan-1-one
CID 106677550
1-(4-bromothiophen-3-yl)-2-(prop-2-ynylamino)ethanone
CID 116589569
1-(4-bromothiophen-3-yl)-4-methylpentan-1-one
CID 79596702
1-(4-bromothiophen-3-yl)-2-ethylsulfanylethanone
CID 79595837
1-(4-bromothiophen-3-yl)-2-phenylethanone
CID 79596157

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone (CID 116582391) is 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone is O=C(CC1CNC1)c1cscc1Br.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone?
The InChIKey is HDPRNKLXPMRPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-8-5-13-4-7(8)9(12)1-6-2-11-3-6/h4-6,11H,1-3H2.
What are the key properties of 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone?
2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone has a molecular weight of 260.16 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(4-bromothiophen-3-yl)ethanone is sourced from PubChem (CID 116582391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).