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1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]prop-2-en-1-one

1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]prop-2-en-1-one

CAS: 2270918-60-8

Formula: C14H15N3OS

SMILES: C=CC(=O)N1CCN(CC1)C1=NC2=CC=CC=C2S1

IUPAC: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]prop-2-en-1-one

InChI: InChI=1S/C14H15N3OS/c1-2-13(18)16-7-9-17(10-8-16)14-15-11-5-3-4-6-12(11)19-14/h2-6H,1,7-10H2

Composition: C (61.52%), H (5.53%), N (15.37%), O (5.85%), S (11.73%)

Molar Mass: 273.35

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 273.093583289
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XIIRJSSHJKRIID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76
Topological Polar Surface Area 36.44
Polarizability 29.88
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2270918-60-8 $51.35-$86.31$51.35$63.37$86.31
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