Home Carboxys 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylic acid

1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylic acid

CAS No.:
852033-48-8
Catalog Number:
AG00IDKX
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
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Product Description
Catalog Number:
AG00IDKX
Chemical Name:
1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylic acid
CAS Number:
852033-48-8
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
MDL Number:
MFCD06655314
IUPAC Name:
1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C14H15NO2S/c16-13(17)14(7-3-4-8-14)9-12-15-10-5-1-2-6-11(10)18-12/h1-2,5-6H,3-4,7-9H2,(H,16,17)
InChI Key:
MXXBBESUIKQPCY-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)Cc1nc2c(s1)cccc2
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties