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

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

Formula: C18H15N5OS2

SMILES: CC1=CC=CC=C1C1=NC(SCC(=O)NC2=NC3=CC=CC=C3S2)=NN1

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

InChI: InChI=1S/C18H15N5OS2/c1-11-6-2-3-7-12(11)16-21-18(23-22-16)25-10-15(24)20-17-19-13-8-4-5-9-14(13)26-17/h2-9H,10H2,1H3,(H,19,20,24)(H,21,22,23)

Composition: C (56.67%), H (3.96%), N (18.36%), O (4.19%), S (16.81%)

Molar Mass: 381.47

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	381.071802471
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VASGTHZGGVZJGY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	116.82
Topological Polar Surface Area	83.56
Polarizability	41.14
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H15N5OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00