ethyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate

CAS: 1228281-54-6

Formula: C6H7BrN2O2S

SMILES: CCOC(=O)C1=C(N)SC(Br)=N1

IUPAC: ethyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C6H7BrN2O2S/c1-2-11-5(10)3-4(8)12-6(7)9-3/h2,8H2,1H3

Composition: C (28.70%), H (2.81%), Br (31.82%), N (11.16%), O (12.74%), S (12.77%)

Molar Mass: 251.1

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.941162
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KKIJIGUQUMOZEO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.15
Topological Polar Surface Area	65.21
Polarizability	18.79
Ring Count	1
Rotatable Bond Count	3

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