N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide

N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide

Formula: C20H21N3OS

SMILES: CC1=CC=CC=C1C(=O)NC1=NN=C(S1)C1=CC=C(C=C1)C(C)(C)C

IUPAC: N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide

InChI: InChI=1S/C20H21N3OS/c1-13-7-5-6-8-16(13)17(24)21-19-23-22-18(25-19)14-9-11-15(12-10-14)20(2,3)4/h5-12H,1-4H3,(H,21,23,24)

Composition: C (68.35%), H (6.02%), N (11.96%), O (4.55%), S (9.12%)

Molar Mass: 351.47

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	351.140533482
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AJGOXCJYTGXLPC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	115.2
Topological Polar Surface Area	54.88
Polarizability	39.19
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00