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3-chloro-N-({3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-({3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-5-(trifluoromethyl)pyridin-2-amine

CAS: 477867-49-5

Formula: C13H12ClF3N6OS

SMILES: CNC1=NN=C(S1)C1=NOC(CNC2=C(Cl)C=C(C=N2)C(F)(F)F)C1

IUPAC: 3-chloro-N-({3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-5-(trifluoromethyl)pyridin-2-amine

InChI: InChI=1/C13H12ClF3N6OS/c1-18-12-22-21-11(25-12)9-3-7(24-23-9)5-20-10-8(14)2-6(4-19-10)13(15,16)17/h2,4,7H,3,5H2,1H3,(H,18,22)(H,19,20)

Composition: C (39.75%), H (3.08%), Cl (9.03%), F (14.51%), N (21.40%), O (4.07%), S (8.16%)

Molar Mass: 392.79

Atom Count: 37

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 392.0433924
Formal Charge 0
FSP3 0.38
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey SGDXCCXQUPXNPD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.27
Topological Polar Surface Area 84.32
Polarizability 31.54
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477867-49-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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