2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide

2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide

CAS: 878416-71-8

Formula: C9H13BrN2OS

SMILES: CCC1=C(C)SC(NC(=O)C(C)Br)=N1

IUPAC: 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide

InChI: InChI=1/C9H13BrN2OS/c1-4-7-6(3)14-9(11-7)12-8(13)5(2)10/h5H,4H2,1-3H3,(H,11,12,13)

Composition: C (39.00%), H (4.73%), Br (28.83%), N (10.11%), O (5.77%), S (11.57%)

Molar Mass: 277.18

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	275.993197
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QZUBVHBFBZKVBI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.11
Topological Polar Surface Area	41.99
Polarizability	23.07
Ring Count	1
Rotatable Bond Count	3

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