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tert-butyl 4-(5-amino-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-amino-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate

CAS: 244201-29-4

Formula: C11H19N5O2S

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=NN=C(N)S1

IUPAC: tert-butyl 4-(5-amino-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate

InChI: InChI=1S/C11H19N5O2S/c1-11(2,3)18-10(17)16-6-4-15(5-7-16)9-14-13-8(12)19-9/h4-7H2,1-3H3,(H2,12,13)

Composition: C (46.30%), H (6.71%), N (24.54%), O (11.21%), S (11.23%)

Molar Mass: 285.37

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 285.125946046
Formal Charge 0
FSP3 0.73
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey UYCOBVUFFIQOFB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.22
Topological Polar Surface Area 84.58
Polarizability 27.39
Ring Count 2
Rotatable Bond Count 3

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