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N,N-dimethyl-4-{6-[4-(prop-2-en-1-yloxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}aniline

N,N-dimethyl-4-{6-[4-(prop-2-en-1-yloxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}aniline

Formula: C20H19N5OS

SMILES: CN(C)C1=CC=C(C=C1)C1=NN=C2SC(=NN12)C1=CC=C(OCC=C)C=C1

IUPAC: N,N-dimethyl-4-{6-[4-(prop-2-en-1-yloxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}aniline

InChI: InChI=1S/C20H19N5OS/c1-4-13-26-17-11-7-15(8-12-17)19-23-25-18(21-22-20(25)27-19)14-5-9-16(10-6-14)24(2)3/h4-12H,1,13H2,2-3H3

Composition: C (63.64%), H (5.07%), N (18.55%), O (4.24%), S (8.49%)

Molar Mass: 377.47

Atom Count: 46

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 377.131031426
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey IMWVULRLJYIQFW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 152.08
Topological Polar Surface Area 55.55
Polarizability 41.55
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H19N5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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