4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N-[(4-methylphenyl)methyl]aniline

4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N-[(4-methylphenyl)methyl]aniline

Formula: C18H17N5S

SMILES: CC1=NN=C2SC(=NN12)C1=CC=C(NCC2=CC=C(C)C=C2)C=C1

IUPAC: 4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-N-[(4-methylphenyl)methyl]aniline

InChI: InChI=1S/C18H17N5S/c1-12-3-5-14(6-4-12)11-19-16-9-7-15(8-10-16)17-22-23-13(2)20-21-18(23)24-17/h3-10,19H,11H2,1-2H3

Composition: C (64.45%), H (5.11%), N (20.88%), S (9.56%)

Molar Mass: 335.43

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	335.120466741
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OBXSAUGBJRHQHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	131.22
Topological Polar Surface Area	55.11
Polarizability	36.6
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17N5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00