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

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

Formula: C21H19N5O2S2

SMILES: COC1=CC=C(C=C1)C1=NC(SCC(=O)NC2=NC(=CS2)C2=CC=C(C)C=C2)=NN1

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

InChI: InChI=1S/C21H19N5O2S2/c1-13-3-5-14(6-4-13)17-11-29-20(22-17)23-18(27)12-30-21-24-19(25-26-21)15-7-9-16(28-2)10-8-15/h3-11H,12H2,1-2H3,(H,22,23,27)(H,24,25,26)

Composition: C (57.65%), H (4.38%), N (16.01%), O (7.31%), S (14.65%)

Molar Mass: 437.54

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	437.09801722
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	PUCBTRXTJZKJDN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.19
Topological Polar Surface Area	92.79
Polarizability	47.08
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19N5O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00