2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one

C10H13BrN2OS — CID 102548538

IUPAC2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESCC(N)C(=O)N1CCc2sc(Br)cc2C1
InChIInChI=1S/C10H13BrN2OS/c1-6(12)10(14)13-3-2-8-7(5-13)4-9(11)15-8/h4,6H,2-3,5,12H2,1H3
InChIKeyRNKKALXWIGYFSG-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.74
Rot. Bonds1

About 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one

2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 102548538) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID102548538
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESCC(N)C(=O)N1CCc2sc(Br)cc2C1
InChIInChI=1S/C10H13BrN2OS/c1-6(12)10(14)13-3-2-8-7(5-13)4-9(11)15-8/h4,6H,2-3,5,12H2,1H3
InChIKeyRNKKALXWIGYFSG-UHFFFAOYSA-N
XLogP1.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
methyl 2-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxybutanoate
CID 167980859
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylaniline
CID 123813619
2-amino-1-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 86814768
2-[(2R)-2-aminopropanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104558998
2-bromo-5-methyl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 82384737
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647685
1-[(2S)-2-aminopropanoyl]piperidin-3-one
CID 66564387
2-amino-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203488
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (CID 102548538) is 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is CC(N)C(=O)N1CCc2sc(Br)cc2C1.
What is the InChIKey of 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is RNKKALXWIGYFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-6(12)10(14)13-3-2-8-7(5-13)4-9(11)15-8/h4,6H,2-3,5,12H2,1H3.
What are the key properties of 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 289.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 102548538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).