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2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one

2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one

CAS: 339022-25-2

Formula: C9H14N2OS

SMILES: CNC1=NC=C(S1)C(=O)C(C)(C)C

IUPAC: 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one

InChI: InChI=1S/C9H14N2OS/c1-9(2,3)7(12)6-5-11-8(10-4)13-6/h5H,1-4H3,(H,10,11)

Composition: C (54.52%), H (7.12%), N (14.13%), O (8.07%), S (16.17%)

Molar Mass: 198.28

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 198.082684253
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey STSIKNWGXHKMRF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.82
Topological Polar Surface Area 41.99
Polarizability 20.38
Ring Count 1
Rotatable Bond Count 3

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90% <2 Days 339022-25-2 $51.35-$524.40$51.35$63.37$86.31$524.40
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