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

C6H8BrN3OS — CID 22170675

IUPAC3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
SMILESNCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H8BrN3OS/c7-4-3-9-6(12-4)10-5(11)1-2-8/h3H,1-2,8H2,(H,9,10,11)
InChIKeyMKYMDNJOCWDJBH-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.19
Rot. Bonds3

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

3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide (PubChem CID 22170675) has the molecular formula C6H8BrN3OS and a molecular weight of 250.12 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
PubChem CID22170675
Molecular FormulaC6H8BrN3OS
Molecular Weight250.12 g/mol
Exact Mass248.96
IUPAC Name3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
SMILESNCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H8BrN3OS/c7-4-3-9-6(12-4)10-5(11)1-2-8/h3H,1-2,8H2,(H,9,10,11)
InChIKeyMKYMDNJOCWDJBH-UHFFFAOYSA-N
XLogP1.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.19
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?
The IUPAC name of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide (CID 22170675) is 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide is NCCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide?
The InChIKey is MKYMDNJOCWDJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3OS/c7-4-3-9-6(12-4)10-5(11)1-2-8/h3H,1-2,8H2,(H,9,10,11).
What are the key properties of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide?
3-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide has a molecular weight of 250.12 g/mol, XLogP of 1.19, 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 is sourced from PubChem (CID 22170675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).