2-[(oxolan-2-ylmethyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-[(oxolan-2-ylmethyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

CAS: 937597-53-0

Formula: C10H11F3N2O3S

SMILES: OC(=O)C1=C(N=C(NCC2CCCO2)S1)C(F)(F)F

IUPAC: 2-{[(oxolan-2-yl)methyl]amino}-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

InChI: InChI=1/C10H11F3N2O3S/c11-10(12,13)7-6(8(16)17)19-9(15-7)14-4-5-2-1-3-18-5/h5H,1-4H2,(H,14,15)(H,16,17)

Composition: C (40.54%), H (3.74%), F (19.24%), N (9.46%), O (16.20%), S (10.82%)

Molar Mass: 296.26

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	296.044247885
Formal Charge	0
FSP3	0.6
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZXHRWCWXFSGEDN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.83
Topological Polar Surface Area	71.45
Polarizability	22.4
Ring Count	2
Rotatable Bond Count	5

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