Text Search
Structure Search

2-[(3,4-dimethoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[(3,4-dimethoxyphenyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

CAS: 887405-84-7

Formula: C13H14N2O4S

SMILES: COC1=C(OC)C=C(NC2=NC(C)=C(S2)C(O)=O)C=C1

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

InChI: InChI=1S/C13H14N2O4S/c1-7-11(12(16)17)20-13(14-7)15-8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H,14,15)(H,16,17)

Composition: C (53.05%), H (4.79%), N (9.52%), O (21.74%), S (10.89%)

Molar Mass: 294.33

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 294.067428113
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey GKZYNBGKMUSXIS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.78
Topological Polar Surface Area 80.68
Polarizability 28.08
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 887405-84-7 $51.35-$86.31$51.35$63.37$86.31
Request Quote