ethyl 6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate

ethyl 6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate

CAS: 752244-21-6

Formula: C14H11N3O4S

SMILES: CCOC(=O)C1=CSC2=NC(=CN12)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: ethyl 6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate

InChI: InChI=1S/C14H11N3O4S/c1-2-21-13(18)12-8-22-14-15-11(7-16(12)14)9-3-5-10(6-4-9)17(19)20/h3-8H,2H2,1H3

Composition: C (52.99%), H (3.49%), N (13.24%), O (20.17%), S (10.10%)

Molar Mass: 317.32

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	317.04702702
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	BRZIWZJAECKVNM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.25
Topological Polar Surface Area	86.74
Polarizability	31.11
Ring Count	3
Rotatable Bond Count	5

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