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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-oxo-1-phenylpropyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-oxo-1-phenylpropyl)acetamide

Formula: C13H14N4O2S2

SMILES: CC(=O)C(NC(=O)CSC1=NN=C(N)S1)C1=CC=CC=C1

IUPAC: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-oxo-1-phenylpropyl)acetamide

InChI: InChI=1/C13H14N4O2S2/c1-8(18)11(9-5-3-2-4-6-9)15-10(19)7-20-13-17-16-12(14)21-13/h2-6,11H,7H2,1H3,(H2,14,16)(H,15,19)

Composition: C (48.43%), H (4.38%), N (17.38%), O (9.92%), S (19.89%)

Molar Mass: 322.4

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 322.055818055
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey KGDLMFFWDMKKDK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.74
Topological Polar Surface Area 97.97
Polarizability 31.6
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H14N4O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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