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3-{[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid

3-{[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid

Formula: C17H14N2O3S

SMILES: COC1=CC=C(C=C1)C1=CSC(NC2=CC=CC(=C2)C(O)=O)=N1

IUPAC: 3-{[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid

InChI: InChI=1S/C17H14N2O3S/c1-22-14-7-5-11(6-8-14)15-10-23-17(19-15)18-13-4-2-3-12(9-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)

Composition: C (62.56%), H (4.32%), N (8.58%), O (14.71%), S (9.82%)

Molar Mass: 326.37

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 326.072513493
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CFYDXNBMIJXILG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.71
Topological Polar Surface Area 71.45
Polarizability 34.61
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H14N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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