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ethyl 2-(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-1,3-thiazol-4-yl)acetate

ethyl 2-(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-1,3-thiazol-4-yl)acetate

CAS: 1210656-27-1

Formula: C14H17N3O4S2

SMILES: CCOC(=O)CC1=CSC(NC2=NC(CC(=O)OCC)=CS2)=N1

IUPAC: ethyl 2-(2-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-1,3-thiazol-4-yl)acetate

InChI: InChI=1S/C14H17N3O4S2/c1-3-20-11(18)5-9-7-22-13(15-9)17-14-16-10(8-23-14)6-12(19)21-4-2/h7-8H,3-6H2,1-2H3,(H,15,16,17)

Composition: C (47.31%), H (4.82%), N (11.82%), O (18.01%), S (18.04%)

Molar Mass: 355.43

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 355.066048387
Formal Charge 0
FSP3 0.43
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey YMFPLRZWNDJFTP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.81
Topological Polar Surface Area 90.41
Polarizability 33.06
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1210656-27-1 $51.35-$86.31$51.35$63.37$86.31
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