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ethyl 2-[(tert-butoxycarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(tert-butoxycarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

CAS: 244236-52-0

Formula: C12H18N2O4S

SMILES: CCOC(=O)C1=C(C)N=C(NC(=O)OC(C)(C)C)S1

IUPAC: ethyl 2-{[(tert-butoxy)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C12H18N2O4S/c1-6-17-9(15)8-7(2)13-10(19-8)14-11(16)18-12(3,4)5/h6H2,1-5H3,(H,13,14,16)

Composition: C (50.33%), H (6.34%), N (9.78%), O (22.35%), S (11.20%)

Molar Mass: 286.35

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.098728242
Formal Charge 0
FSP3 0.58
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey OHMCRYLLELYLPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.18
Topological Polar Surface Area 77.52
Polarizability 27.39
Ring Count 1
Rotatable Bond Count 6

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95% <5 Days 244236-52-0 $462.00-$560.00$462.00$560.00
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