Text Search
Structure Search

N-(1,3-benzothiazol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]butanamide

N-(1,3-benzothiazol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]butanamide

Formula: C15H16N6OS2

SMILES: CCC(SC1=NC(N)=CC(N)=N1)C(=O)NC1=NC2=CC=CC=C2S1

IUPAC: N-(1,3-benzothiazol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]butanamide

InChI: InChI=1/C15H16N6OS2/c1-2-9(23-15-19-11(16)7-12(17)20-15)13(22)21-14-18-8-5-3-4-6-10(8)24-14/h3-7,9H,2H2,1H3,(H,18,21,22)(H4,16,17,19,20)

Composition: C (49.98%), H (4.47%), N (23.32%), O (4.44%), S (17.79%)

Molar Mass: 360.45

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 360.082701507
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey WBEZQILQQORBKT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.53
Topological Polar Surface Area 119.81
Polarizability 37.37
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H16N6OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote