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N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

Formula: C13H13N5OS

SMILES: CC(=O)NCC1=CC=C(C=C1)C1=NN2C(C)=NN=C2S1

IUPAC: N-[(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)methyl]acetamide

InChI: InChI=1S/C13H13N5OS/c1-8-15-16-13-18(8)17-12(20-13)11-5-3-10(4-6-11)7-14-9(2)19/h3-6H,7H2,1-2H3,(H,14,19)

Composition: C (54.34%), H (4.56%), N (24.37%), O (5.57%), S (11.16%)

Molar Mass: 287.34

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 287.084081233
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MEHBFKSKOBEWEQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.28
Topological Polar Surface Area 72.18
Polarizability 29.03
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H13N5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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