2-bromo-1,3-thiazole-5-carboxamide

2-bromo-1,3-thiazole-5-carboxamide

CAS: 848499-31-0

Formula: C4H3BrN2OS

SMILES: NC(=O)C1=CN=C(Br)S1

IUPAC: 2-bromo-1,3-thiazole-5-carboxamide

InChI: InChI=1S/C4H3BrN2OS/c5-4-7-1-2(9-4)3(6)8/h1H,(H2,6,8)

Composition: C (23.20%), H (1.46%), Br (38.59%), N (13.53%), O (7.73%), S (15.48%)

Molar Mass: 207.05

Atom Count: 12

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.914947
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RXTGRIUBDYHCKY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.75
Topological Polar Surface Area	55.98
Polarizability	14.28
Ring Count	1
Rotatable Bond Count	1

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