tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate

CAS: 731018-54-5

Formula: C8H11FN2O2S

SMILES: CC(C)(C)OC(=O)NC1=NC=C(F)S1

IUPAC: tert-butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate

InChI: InChI=1S/C8H11FN2O2S/c1-8(2,3)13-7(12)11-6-10-4-5(9)14-6/h4H,1-3H3,(H,10,11,12)

Composition: C (44.03%), H (5.08%), F (8.71%), N (12.84%), O (14.66%), S (14.69%)

Molar Mass: 218.25

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.052526939
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VCMFSWGHVQKQGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.41
Topological Polar Surface Area	51.22
Polarizability	19.11
Ring Count	1
Rotatable Bond Count	3

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