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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide

Formula: C16H17N5OS3

SMILES: CCC(SC1=NN=C(N)S1)C(=O)NC1=NC(=C(C)S1)C1=CC=CC=C1

IUPAC: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide

InChI: InChI=1/C16H17N5OS3/c1-3-11(24-16-21-20-14(17)25-16)13(22)19-15-18-12(9(2)23-15)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H2,17,20)(H,18,19,22)

Composition: C (49.08%), H (4.38%), N (17.89%), O (4.09%), S (24.57%)

Molar Mass: 391.53

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 391.059523709
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey UZUMMWYJCVLANS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.82
Topological Polar Surface Area 93.79
Polarizability 40.13
Ring Count 3
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H17N5OS3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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