Home Aminos 3-((thiazol-5-ylmethyl)amino)benzoic acid

3-((thiazol-5-ylmethyl)amino)benzoic acid

CAS No.:
1339490-87-7
Catalog Number:
AG01BJFF
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
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Product Description
Catalog Number:
AG01BJFF
Chemical Name:
3-((thiazol-5-ylmethyl)amino)benzoic acid
CAS Number:
1339490-87-7
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
MDL Number:
MFCD16865506
IUPAC Name:
3-(1,3-thiazol-5-ylmethylamino)benzoic acid
InChI:
InChI=1S/C11H10N2O2S/c14-11(15)8-2-1-3-9(4-8)13-6-10-5-12-7-16-10/h1-5,7,13H,6H2,(H,14,15)
InChI Key:
BUTJRDNKIIWPLT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)NCc1cncs1
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties