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15087-95-3 | 5-Thiazolecarboxylic acid, 4-methyl-2-[(phenylmethyl)amino]-, ethyl ester
CAS No: 15087-95-3 Catalog No: AG001MXC MDL No:MFCD04035304
Product Description
Catalog Number:
AG001MXC
Chemical Name:
5-Thiazolecarboxylic acid, 4-methyl-2-[(phenylmethyl)amino]-, ethyl ester
CAS Number:
15087-95-3
Molecular Formula:
C14H16N2O2S
Molecular Weight:
276.3540
MDL Number:
MFCD04035304
IUPAC Name:
ethyl 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C14H16N2O2S.ClH/c1-3-18-13(17)12-10(2)16-14(19-12)15-9-11-7-5-4-6-8-11;/h4-8H,3,9H2,1-2H3,(H,15,16);1H
InChI Key:
IYGLNBZCWXZISN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)NCc1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.812g/mol
Monoisotopic Mass:
312.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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