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N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C14H22N6OS2

SMILES: CC(C)CC1=NN=C(N1)SCC(=O)NC1=NN=C(CC(C)C)S1

IUPAC: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-{[5-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C14H22N6OS2/c1-8(2)5-10-15-13(19-17-10)22-7-11(21)16-14-20-18-12(23-14)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,15,17,19)(H,16,20,21)

Composition: C (47.44%), H (6.26%), N (23.71%), O (4.51%), S (18.09%)

Molar Mass: 354.49

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 354.1296517
Formal Charge 0
FSP3 0.64
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey RGPKNBKLMLPZKF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.21
Topological Polar Surface Area 96.45
Polarizability 35.39
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H22N6OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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