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ethyl 4-methyl-2-[2-(pyrrolidin-1-yl)acetamido]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[2-(pyrrolidin-1-yl)acetamido]-1,3-thiazole-5-carboxylate

Formula: C13H19N3O3S

SMILES: CCOC(=O)C1=C(C)N=C(NC(=O)CN2CCCC2)S1

IUPAC: ethyl 4-methyl-2-[2-(pyrrolidin-1-yl)acetamido]-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C13H19N3O3S/c1-3-19-12(18)11-9(2)14-13(20-11)15-10(17)8-16-6-4-5-7-16/h3-8H2,1-2H3,(H,14,15,17)

Composition: C (52.51%), H (6.44%), N (14.13%), O (16.14%), S (10.78%)

Molar Mass: 297.37

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 297.114712658
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BTTQFZKVNNABQB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.72
Topological Polar Surface Area 71.53
Polarizability 29.29
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H19N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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