2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone

C12H10BrNOS — CID 116551297

IUPAC2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone
SMILESNC(C(=O)c1cscc1Br)c1ccccc1
InChIInChI=1S/C12H10BrNOS/c13-10-7-16-6-9(10)12(15)11(14)8-4-2-1-3-5-8/h1-7,11H,14H2
InChIKeyJWZASCWNLSQDAJ-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.39
Rot. Bonds3

About 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone

2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone (PubChem CID 116551297) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone
PubChem CID116551297
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone
SMILESNC(C(=O)c1cscc1Br)c1ccccc1
InChIInChI=1S/C12H10BrNOS/c13-10-7-16-6-9(10)12(15)11(14)8-4-2-1-3-5-8/h1-7,11H,14H2
InChIKeyJWZASCWNLSQDAJ-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone
CID 116601655
2-amino-1-(4-bromothiophen-3-yl)-3-phenylpropan-1-one
CID 116552564
2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116554721
1-(4-bromothiophen-3-yl)-2-phenylethanone
CID 79596157
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
2-(aminomethyl)-1-(4-bromothiophen-3-yl)butan-1-one
CID 116575230
(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
CID 104891231
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128
CID 172809734
CID 172809734
2-amino-2-phenyl-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 116551144
1-(4-bromothiophen-3-yl)-2-phenylethane-1,2-diol
CID 103459511

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone (CID 116551297) is 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone is NC(C(=O)c1cscc1Br)c1ccccc1.
What is the InChIKey of 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone?
The InChIKey is JWZASCWNLSQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-10-7-16-6-9(10)12(15)11(14)8-4-2-1-3-5-8/h1-7,11H,14H2.
What are the key properties of 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone?
2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone has a molecular weight of 296.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone is sourced from PubChem (CID 116551297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).