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488794-36-1 | Ethyl-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-amine
CAS No: 488794-36-1 Catalog No: AG01FA6I MDL No:
Product Description
Catalog Number:
AG01FA6I
Chemical Name:
Ethyl-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-amine
CAS Number:
488794-36-1
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
IUPAC Name:
N-ethyl-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C11H13N3S/c1-3-12-11-14-13-10(15-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,12,14)
InChI Key:
TXVFCJCTSHHUML-UHFFFAOYSA-N
SMILES:
CCNc1nnc(s1)c1ccc(cc1)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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