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113214-30-5 | 5-Methyl-4-phenyl-2-(2-thienyl)thiazole
CAS No: 113214-30-5 Catalog No: AG01FC6D MDL No:MFCD06368612
Product Description
Catalog Number:
AG01FC6D
Chemical Name:
5-Methyl-4-phenyl-2-(2-thienyl)thiazole
CAS Number:
113214-30-5
Molecular Formula:
C14H11NS2
Molecular Weight:
257.3738
MDL Number:
MFCD06368612
IUPAC Name:
5-methyl-4-phenyl-2-thiophen-2-yl-1,3-thiazole
InChI:
InChI=1S/C14H11NS2/c1-10-13(11-6-3-2-4-7-11)15-14(17-10)12-8-5-9-16-12/h2-9H,1H3
InChI Key:
GJCUAOPBECGQBG-UHFFFAOYSA-N
SMILES:
Cc1sc(nc1c1ccccc1)c1cccs1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.369g/mol
Monoisotopic Mass:
257.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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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