ethyl 2-[(3,4-dimethoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(3,4-dimethoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

CAS: 1797917-76-0

Formula: C15H18N2O4S

SMILES: CCOC(=O)C1=C(C)N=C(NC2=CC(OC)=C(OC)C=C2)S1

IUPAC: ethyl 2-[(3,4-dimethoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C15H18N2O4S/c1-5-21-14(18)13-9(2)16-15(22-13)17-10-6-7-11(19-3)12(8-10)20-4/h6-8H,5H2,1-4H3,(H,16,17)

Composition: C (55.89%), H (5.63%), N (8.69%), O (19.85%), S (9.94%)

Molar Mass: 322.38

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	322.098728242
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JFUJMFQMHCCXBE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.3
Topological Polar Surface Area	69.68
Polarizability	31.98
Ring Count	2
Rotatable Bond Count	7

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