3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride

C6H9BrClN3OS — CID 22170674

IUPAC3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H8BrN3OS.ClH/c7-4-3-9-6(12-4)10-5(11)1-2-8;/h3H,1-2,8H2,(H,9,10,11);1H
InChIKeyAPELROCPMBOLQE-UHFFFAOYSA-N
MW286.58 g/mol
LogP1.61
Rot. Bonds3

About 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride

3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride (PubChem CID 22170674) has the molecular formula C6H9BrClN3OS and a molecular weight of 286.58 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride
PubChem CID22170674
Molecular FormulaC6H9BrClN3OS
Molecular Weight286.58 g/mol
Exact Mass284.93
IUPAC Name3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H8BrN3OS.ClH/c7-4-3-9-6(12-4)10-5(11)1-2-8;/h3H,1-2,8H2,(H,9,10,11);1H
InChIKeyAPELROCPMBOLQE-UHFFFAOYSA-N
XLogP1.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.58
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride (CID 22170674) is 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride is Cl.NCCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride?
The InChIKey is APELROCPMBOLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3OS.ClH/c7-4-3-9-6(12-4)10-5(11)1-2-8;/h3H,1-2,8H2,(H,9,10,11);1H.
What are the key properties of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride?
3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride has a molecular weight of 286.58 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 22170674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).