ethyl 2-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate

Formula: C15H21N5O3S2

SMILES: CCCCC1=NN=C(N1)SCC(=O)NC1=NC(C)=C(S1)C(=O)OCC

IUPAC: ethyl 2-{2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C15H21N5O3S2/c1-4-6-7-10-17-15(20-19-10)24-8-11(21)18-14-16-9(3)12(25-14)13(22)23-5-2/h4-8H2,1-3H3,(H,16,18,21)(H,17,19,20)

Composition: C (46.98%), H (5.52%), N (18.26%), O (12.52%), S (16.72%)

Molar Mass: 383.49

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	383.108581904
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YDZABVMABCBMGO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.07
Topological Polar Surface Area	109.86
Polarizability	37.06
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H21N5O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00