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750640-97-2 | 2-piperidin-3-yl-1,3-benzothiazole
CAS No: 750640-97-2 Catalog No: AG00G9LH MDL No:MFCD06337670
Product Description
Catalog Number:
AG00G9LH
Chemical Name:
2-piperidin-3-yl-1,3-benzothiazole
CAS Number:
750640-97-2
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD06337670
IUPAC Name:
2-piperidin-3-yl-1,3-benzothiazole
InChI:
InChI=1S/C12H14N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChI Key:
PXPKASSSZWCUJE-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1nc2c(s1)cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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