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162651-09-4 | 5-Thiazolecarboxylic acid, 2-(ethylamino)-4-methyl-
CAS No: 162651-09-4 Catalog No: AG001TAY MDL No:MFCD04035287
Product Description
Catalog Number:
AG001TAY
Chemical Name:
5-Thiazolecarboxylic acid, 2-(ethylamino)-4-methyl-
CAS Number:
162651-09-4
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
MDL Number:
MFCD04035287
IUPAC Name:
2-(ethylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C7H10N2O2S/c1-3-8-7-9-4(2)5(12-7)6(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)
InChI Key:
IKCWFYCMZBNCKA-UHFFFAOYSA-N
SMILES:
CCNc1nc(c(s1)C(=O)O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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