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2-bromo-N-(4-methyl-1,3-thiazol-2-yl)propanamide

2-bromo-N-(4-methyl-1,3-thiazol-2-yl)propanamide

CAS: 879609-86-6

Formula: C7H9BrN2OS

SMILES: CC(Br)C(=O)NC1=NC(C)=CS1

IUPAC: 2-bromo-N-(4-methyl-1,3-thiazol-2-yl)propanamide

InChI: InChI=1/C7H9BrN2OS/c1-4-3-12-7(9-4)10-6(11)5(2)8/h3,5H,1-2H3,(H,9,10,11)

Composition: C (33.75%), H (3.64%), Br (32.07%), N (11.24%), O (6.42%), S (12.87%)

Molar Mass: 249.13

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 247.961897
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NQKIOXSOJPKEKT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.42
Topological Polar Surface Area 41.99
Polarizability 19.55
Ring Count 1
Rotatable Bond Count 2

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