3-[5-(3,5-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)urea

3-[5-(3,5-dimethylphenoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)urea

Formula: C19H20N4O2S

SMILES: CC1=CC=C(NC(=O)NC2=NN=C(COC3=CC(C)=CC(C)=C3)S2)C=C1

IUPAC: 3-{5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-1-(4-methylphenyl)urea

InChI: InChI=1S/C19H20N4O2S/c1-12-4-6-15(7-5-12)20-18(24)21-19-23-22-17(26-19)11-25-16-9-13(2)8-14(3)10-16/h4-10H,11H2,1-3H3,(H2,20,21,23,24)

Composition: C (61.94%), H (5.47%), N (15.21%), O (8.68%), S (8.70%)

Molar Mass: 368.46

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	368.130697074
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KGZQJZXTLJDQDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.38
Topological Polar Surface Area	76.14
Polarizability	38.43
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00