methyl 3-(2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3-thiazol-4-yl)propanoate

methyl 3-(2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3-thiazol-4-yl)propanoate

Formula: C12H14N4O3S3

SMILES: COC(=O)CCC1=CSC(NC(=O)CSC2=NN=C(C)S2)=N1

IUPAC: methyl 3-(2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-1,3-thiazol-4-yl)propanoate

InChI: InChI=1S/C12H14N4O3S3/c1-7-15-16-12(22-7)21-6-9(17)14-11-13-8(5-20-11)3-4-10(18)19-2/h5H,3-4,6H2,1-2H3,(H,13,14,17)

Composition: C (40.21%), H (3.94%), N (15.63%), O (13.39%), S (26.83%)

Molar Mass: 358.45

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	358.022803849
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZRKIEPDBUAYTBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.51
Topological Polar Surface Area	94.07
Polarizability	32.7
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H14N4O3S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00