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55745-83-0 | 2-PIPERAZIN-1-YL-BENZOTHIAZOLE
CAS No: 55745-83-0 Catalog No: AG00D8D7 MDL No:MFCD01417996
Product Description
Catalog Number:
AG00D8D7
Chemical Name:
2-PIPERAZIN-1-YL-BENZOTHIAZOLE
CAS Number:
55745-83-0
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
MDL Number:
MFCD01417996
IUPAC Name:
2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:
LLQMZXMBCQNMJV-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
218
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:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Semantic inference using chemogenomics data for drug discovery. | BMC bioinformatics 20110101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| A structure-activity relationship study of compounds with antihistamine activity. | Biomedical chromatography : BMC 20061001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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