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507268-43-1 | Benzonitrile, 3-[5-(2-thiazolyl)-2H-tetrazol-2-yl]-
CAS No: 507268-43-1 Catalog No: AG006WDM MDL No:
Product Description
Catalog Number:
AG006WDM
Chemical Name:
Benzonitrile, 3-[5-(2-thiazolyl)-2H-tetrazol-2-yl]-
CAS Number:
507268-43-1
Molecular Formula:
C11H6N6S
Molecular Weight:
254.2705
IUPAC Name:
3-[5-(1,3-thiazol-2-yl)tetrazol-2-yl]benzonitrile
InChI:
InChI=1S/C11H6N6S/c12-7-8-2-1-3-9(6-8)17-15-10(14-16-17)11-13-4-5-18-11/h1-6H
InChI Key:
UUMQZMFEQAZTLV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)n1nnc(n1)c1nccs1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.271g/mol
Monoisotopic Mass:
254.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Discovery of highly potent, selective, orally bioavailable, metabotropic glutamate subtype 5 (mGlu5) receptor antagonists devoid of cytochrome P450 1A2 inhibitory activity. | Bioorganic & medicinal chemistry letters 20041115 |
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