N-[5-(3-methylphenoxymethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

N-[5-(3-methylphenoxymethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Formula: C21H25N3O2S

SMILES: CC1=CC=CC(OCC2=NN=C(NC(=O)C34CC5CC(CC(C5)C3)C4)S2)=C1

IUPAC: N-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}adamantane-1-carboxamide

InChI: InChI=1S/C21H25N3O2S/c1-13-3-2-4-17(5-13)26-12-18-23-24-20(27-18)22-19(25)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,24,25)

Composition: C (65.77%), H (6.57%), N (10.96%), O (8.34%), S (8.36%)

Molar Mass: 383.51

Atom Count: 52

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	383.166748231
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FCWXJXUCIPKDKT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.91
Topological Polar Surface Area	64.11
Polarizability	40.42
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H25N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00