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methyl 3-[4-(4-methoxyphenyl)-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl]propanoate

methyl 3-[4-(4-methoxyphenyl)-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl]propanoate

Formula: C17H20N2O3S

SMILES: COC(=O)CCC1=C(N=C(NCC=C)S1)C1=CC=C(OC)C=C1

IUPAC: methyl 3-[4-(4-methoxyphenyl)-2-[(prop-2-en-1-yl)amino]-1,3-thiazol-5-yl]propanoate

InChI: InChI=1S/C17H20N2O3S/c1-4-11-18-17-19-16(12-5-7-13(21-2)8-6-12)14(23-17)9-10-15(20)22-3/h4-8H,1,9-11H2,2-3H3,(H,18,19)

Composition: C (61.42%), H (6.06%), N (8.43%), O (14.44%), S (9.64%)

Molar Mass: 332.42

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 332.119463686
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NIKPKWWPJJQSPU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.94
Topological Polar Surface Area 60.45
Polarizability 36.11
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H20N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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