ethyl 2-{5-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}acetate

ethyl 2-{5-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}acetate

Formula: C15H15N5O3S2

SMILES: CCOC(=O)CC1=NN=C(NC(=O)CSC2=NC3=CC=CC=C3N2)S1

IUPAC: ethyl 2-{5-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}acetate

InChI: InChI=1S/C15H15N5O3S2/c1-2-23-13(22)7-12-19-20-15(25-12)18-11(21)8-24-14-16-9-5-3-4-6-10(9)17-14/h3-6H,2,7-8H2,1H3,(H,16,17)(H,18,20,21)

Composition: C (47.73%), H (4.01%), N (18.56%), O (12.72%), S (16.99%)

Molar Mass: 377.44

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	377.061631711
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	CYZDWFGCQDKANC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.82
Topological Polar Surface Area	109.86
Polarizability	37.31
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H15N5O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00