methyl 3-{6-methylimidazo[2,1-b][1,3]thiazole-5-amido}thiophene-2-carboxylate

methyl 3-{6-methylimidazo[2,1-b][1,3]thiazole-5-amido}thiophene-2-carboxylate

CAS: 400087-15-2

Formula: C13H11N3O3S2

SMILES: COC(=O)C1=C(NC(=O)C2=C(C)N=C3SC=CN23)C=CS1

IUPAC: methyl 3-{6-methylimidazo[2,1-b][1,3]thiazole-5-amido}thiophene-2-carboxylate

InChI: InChI=1S/C13H11N3O3S2/c1-7-9(16-4-6-21-13(16)14-7)11(17)15-8-3-5-20-10(8)12(18)19-2/h3-6H,1-2H3,(H,15,17)

Composition: C (48.59%), H (3.45%), N (13.08%), O (14.94%), S (19.95%)

Molar Mass: 321.37

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	321.024183574
Formal Charge	0
FSP3	0.15
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GGFLBSPDKHNSNX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.43
Topological Polar Surface Area	72.7
Polarizability	29.62
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	400087-15-2		$51.35-$86.31$51.35$63.37$86.31