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15865-96-0 | 5-Thiazolecarboxylic acid, 4-methyl-2-(phenylamino)-, ethyl ester
CAS No: 15865-96-0 Catalog No: AG001QQC MDL No:MFCD03190355
Product Description
Catalog Number:
AG001QQC
Chemical Name:
5-Thiazolecarboxylic acid, 4-methyl-2-(phenylamino)-, ethyl ester
CAS Number:
15865-96-0
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
MDL Number:
MFCD03190355
IUPAC Name:
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C13H14N2O2S/c1-3-17-12(16)11-9(2)14-13(18-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChI Key:
VQXNEYSGMWEITA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C)Nc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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