2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone

C10H8BrNOS2 — CID 116601655

IUPAC2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)c1cscc1Br)c1cccs1
InChIInChI=1S/C10H8BrNOS2/c11-7-5-14-4-6(7)10(13)9(12)8-2-1-3-15-8/h1-5,9H,12H2
InChIKeyNVRFNTUYSONWQK-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.45
Rot. Bonds3

About 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone

2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone (PubChem CID 116601655) has the molecular formula C10H8BrNOS2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone
PubChem CID116601655
Molecular FormulaC10H8BrNOS2
Molecular Weight302.22 g/mol
Exact Mass300.92
IUPAC Name2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone
SMILESNC(C(=O)c1cscc1Br)c1cccs1
InChIInChI=1S/C10H8BrNOS2/c11-7-5-14-4-6(7)10(13)9(12)8-2-1-3-15-8/h1-5,9H,12H2
InChIKeyNVRFNTUYSONWQK-UHFFFAOYSA-N
XLogP3.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-bromothiophen-3-yl)-2-phenylethanone
CID 116551297
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2-amino-1-(4-methylfuran-3-yl)-2-thiophen-2-ylethanone
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2-amino-1-(4-bromothiophen-3-yl)-3-phenylpropan-1-one
CID 116552564
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116554721
2-amino-2-thiophen-2-yl-N-thiophen-3-ylacetamide
CID 115287455
4-amino-4-thiophen-2-ylbutanamide
CID 60860619
thiophen-2-ylmethyl 2-amino-2-thiophen-2-ylacetate
CID 115285074
1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one
CID 116601689
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone (CID 116601655) is 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone is NC(C(=O)c1cscc1Br)c1cccs1.
What is the InChIKey of 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone?
The InChIKey is NVRFNTUYSONWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNOS2/c11-7-5-14-4-6(7)10(13)9(12)8-2-1-3-15-8/h1-5,9H,12H2.
What are the key properties of 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone?
2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone has a molecular weight of 302.22 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromothiophen-3-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 116601655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).