1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one

C12H11BrN2OS — CID 116601689

IUPAC1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one
SMILESNC(C(=O)Cc1ccc(Br)cn1)c1cccs1
InChIInChI=1S/C12H11BrN2OS/c13-8-3-4-9(15-7-8)6-10(16)12(14)11-2-1-5-17-11/h1-5,7,12H,6,14H2
InChIKeyNZCOELROSRDVGQ-UHFFFAOYSA-N
MW311.20 g/mol
LogP2.72
Rot. Bonds4

About 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one

1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one (PubChem CID 116601689) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one
PubChem CID116601689
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one
SMILESNC(C(=O)Cc1ccc(Br)cn1)c1cccs1
InChIInChI=1S/C12H11BrN2OS/c13-8-3-4-9(15-7-8)6-10(16)12(14)11-2-1-5-17-11/h1-5,7,12H,6,14H2
InChIKeyNZCOELROSRDVGQ-UHFFFAOYSA-N
XLogP2.72
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107340921
3-amino-1-(5-bromo-2-pyridinyl)heptan-2-one
CID 116556867
1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601651
1-amino-3-(1-cyclopentylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601706
1-amino-3-(5-chlorothiophen-2-yl)-1-thiophen-2-ylpropan-2-one
CID 116601595
1-amino-1-thiophen-2-ylpent-4-en-2-one
CID 116601434
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601574
1-(5-bromo-2-pyridinyl)-4-methylhexan-2-one
CID 115801004
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601573
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
1-(5-bromo-2-pyridinyl)pent-4-en-2-one
CID 116659555

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one (CID 116601689) is 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one is NC(C(=O)Cc1ccc(Br)cn1)c1cccs1.
What is the InChIKey of 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one?
The InChIKey is NZCOELROSRDVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c13-8-3-4-9(15-7-8)6-10(16)12(14)11-2-1-5-17-11/h1-5,7,12H,6,14H2.
What are the key properties of 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one?
1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one has a molecular weight of 311.20 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-bromo-2-pyridinyl)-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 116601689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).