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ethyl 4-methyl-2-{2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-{2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate

Formula: C17H17N5O3S2

SMILES: CCOC(=O)C1=C(C)N=C(NC(=O)CSC2=NNC(=N2)C2=CC=CC=C2)S1

IUPAC: ethyl 4-methyl-2-{2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C17H17N5O3S2/c1-3-25-15(24)13-10(2)18-16(27-13)19-12(23)9-26-17-20-14(21-22-17)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,18,19,23)(H,20,21,22)

Composition: C (50.61%), H (4.25%), N (17.36%), O (11.90%), S (15.89%)

Molar Mass: 403.48

Atom Count: 44

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 403.077281775
Formal Charge 0
FSP3 0.24
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HCQMWEPNMLZREO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.07
Topological Polar Surface Area 109.86
Polarizability 39.97
Ring Count 3
Rotatable Bond Count 8

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H17N5O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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