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1-[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one

1-[4-amino-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one

CAS: 1042734-86-0

Formula: C13H16N4OS

SMILES: CC(C)(C)C(=O)C1=C(N)N=C(NC2=CC=CN=C2)S1

IUPAC: 1-{4-amino-2-[(pyridin-3-yl)amino]-1,3-thiazol-5-yl}-2,2-dimethylpropan-1-one

InChI: InChI=1S/C13H16N4OS/c1-13(2,3)10(18)9-11(14)17-12(19-9)16-8-5-4-6-15-7-8/h4-7H,14H2,1-3H3,(H,16,17)

Composition: C (56.50%), H (5.84%), N (20.27%), O (5.79%), S (11.60%)

Molar Mass: 276.36

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.104482325
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey IMOXCGDBTACSJG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.97
Topological Polar Surface Area 80.9
Polarizability 28.35
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1042734-86-0 $51.35-$86.31$51.35$63.37$86.31
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