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454237-73-1 | 3-cyclopentyl-4-methyl-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine
CAS No: 454237-73-1 Catalog No: AG019MA0 MDL No:MFCD07286154
Product Description
Catalog Number:
AG019MA0
Chemical Name:
3-cyclopentyl-4-methyl-N-phenyl-2,3-dihydro-1,3-thiazol-2-imine
CAS Number:
454237-73-1
Molecular Formula:
C15H18N2S
Molecular Weight:
258.3818
MDL Number:
MFCD07286154
IUPAC Name:
3-cyclopentyl-4-methyl-N-phenyl-1,3-thiazol-2-imine
InChI:
InChI=1S/C15H18N2S/c1-12-11-18-15(16-13-7-3-2-4-8-13)17(12)14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChI Key:
JTCZUEHHHDXIKO-UHFFFAOYSA-N
SMILES:
Cc1csc(=Nc2ccccc2)n1C1CCCC1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.383g/mol
Monoisotopic Mass:
258.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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