2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one

C5H6BrN3OS — CID 84699223

IUPAC2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one
SMILESCC(N)C(=O)c1nnsc1Br
InChIInChI=1S/C5H6BrN3OS/c1-2(7)4(10)3-5(6)11-9-8-3/h2H,7H2,1H3
InChIKeyBVZYWGZZYMFREW-UHFFFAOYSA-N
MW236.09 g/mol
LogP0.83
Rot. Bonds2

About 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one

2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one (PubChem CID 84699223) has the molecular formula C5H6BrN3OS and a molecular weight of 236.09 g/mol. Its IUPAC name is 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one
PubChem CID84699223
Molecular FormulaC5H6BrN3OS
Molecular Weight236.09 g/mol
Exact Mass234.94
IUPAC Name2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one
SMILESCC(N)C(=O)c1nnsc1Br
InChIInChI=1S/C5H6BrN3OS/c1-2(7)4(10)3-5(6)11-9-8-3/h2H,7H2,1H3
InChIKeyBVZYWGZZYMFREW-UHFFFAOYSA-N
XLogP0.83
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one?
The IUPAC name of 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one (CID 84699223) is 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one is CC(N)C(=O)c1nnsc1Br.
What is the InChIKey of 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one?
The InChIKey is BVZYWGZZYMFREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3OS/c1-2(7)4(10)3-5(6)11-9-8-3/h2H,7H2,1H3.
What are the key properties of 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one?
2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one has a molecular weight of 236.09 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one is sourced from PubChem (CID 84699223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).