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N-(1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

Formula: C12H10N4OS3

SMILES: CC1=NN=C(SCC(=O)NC2=NC3=CC=CC=C3S2)S1

IUPAC: N-(1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

InChI: InChI=1S/C12H10N4OS3/c1-7-15-16-12(19-7)18-6-10(17)14-11-13-8-4-2-3-5-9(8)20-11/h2-5H,6H2,1H3,(H,13,14,17)

Composition: C (44.70%), H (3.13%), N (17.38%), O (4.96%), S (29.83%)

Molar Mass: 322.42

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 322.00167448
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MJZDRECRMJAHBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.12
Topological Polar Surface Area 67.77
Polarizability 31.9
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H10N4OS3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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