N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C19H17N5O2S2

SMILES: COC1=CC=C2N=C(NC(=O)CSC3=NNC(=N3)C3=CC=CC=C3C)SC2=C1

IUPAC: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-{[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C19H17N5O2S2/c1-11-5-3-4-6-13(11)17-22-19(24-23-17)27-10-16(25)21-18-20-14-8-7-12(26-2)9-15(14)28-18/h3-9H,10H2,1-2H3,(H,20,21,25)(H,22,23,24)

Composition: C (55.46%), H (4.16%), N (17.02%), O (7.78%), S (15.58%)

Molar Mass: 411.5

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	411.082367155
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YYJPBQSWENGOPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.28
Topological Polar Surface Area	92.79
Polarizability	43.66
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17N5O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00