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5-methyl-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}-3-propyloxolan-2-one

5-methyl-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}-3-propyloxolan-2-one

Formula: C18H22N2O2S

SMILES: CCCC1CC(C)(OC1=O)C1=CSC(NC2=CC=CC=C2C)=N1

IUPAC: 5-methyl-5-{2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl}-3-propyloxolan-2-one

InChI: InChI=1/C18H22N2O2S/c1-4-7-13-10-18(3,22-16(13)21)15-11-23-17(20-15)19-14-9-6-5-8-12(14)2/h5-6,8-9,11,13H,4,7,10H2,1-3H3,(H,19,20)

Composition: C (65.43%), H (6.71%), N (8.48%), O (9.68%), S (9.70%)

Molar Mass: 330.45

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 330.14019913
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PGNDOLKJNWJKDP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 90.84
Topological Polar Surface Area 51.22
Polarizability 35.36
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H22N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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