Text Search
Structure Search

3-benzamido-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

3-benzamido-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

CAS: 1042801-04-6

Formula: C21H22N4O2S

SMILES: CCCC(C)C1=NN=C(NC(=O)C2=CC(NC(=O)C3=CC=CC=C3)=CC=C2)S1

IUPAC: 3-benzamido-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

InChI: InChI=1/C21H22N4O2S/c1-3-8-14(2)20-24-25-21(28-20)23-19(27)16-11-7-12-17(13-16)22-18(26)15-9-5-4-6-10-15/h4-7,9-14H,3,8H2,1-2H3,(H,22,26)(H,23,25,27)

Composition: C (63.94%), H (5.62%), N (14.20%), O (8.11%), S (8.13%)

Molar Mass: 394.49

Atom Count: 50

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 394.146347138
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey RBFOZBOUCJIRAF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.77
Topological Polar Surface Area 83.98
Polarizability 41.6
Ring Count 3
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1042801-04-6 $1,700.00-$2,816.00$1,700.00$2,140.00$2,816.00
Request Quote