ethyl 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylate

CAS: 248249-53-8

Formula: C13H11NO4S

SMILES: CCOC(=O)C1=CSC(=N1)C1=CC=C2OCOC2=C1

IUPAC: ethyl 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C13H11NO4S/c1-2-16-13(15)9-6-19-12(14-9)8-3-4-10-11(5-8)18-7-17-10/h3-6H,2,7H2,1H3

Composition: C (56.31%), H (4.00%), N (5.05%), O (23.08%), S (11.56%)

Molar Mass: 277.29

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	277.040879012
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WRDIRGFGEKHRIK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.54
Topological Polar Surface Area	57.65
Polarizability	27.18
Ring Count	3
Rotatable Bond Count	4

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