Home Amines 1248907-66-5
1248907-66-5,MFCD16631675
Catalog No.:AA01AQKK
1248907-66-5 | 2-(2-(PYRIDIN-2-YLAMINO)THIAZOL-4-YL)ACETIC ACID
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1g
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$1,050.00   $735.00
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Technical Information
Catalog Number:
AA01AQKK
Chemical Name:
2-(2-(PYRIDIN-2-YLAMINO)THIAZOL-4-YL)ACETIC ACID
CAS Number:
1248907-66-5
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
MDL Number:
MFCD16631675
IUPAC Name:
2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C10H9N3O2S/c14-9(15)5-7-6-16-10(12-7)13-8-3-1-2-4-11-8/h1-4,6H,5H2,(H,14,15)(H,11,12,13)
InChI Key:
WRNWCPKKXRFQLV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)Nc1ccccn1
Properties
Computed Properties
 
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1248907-66-5 
[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]acetic acid 
F2145-0199 
2-{2-[(pyridin-2-yl)amino]-1,3-thiazol-4-yl}acetic acid 
[(2E)-2-(pyridin-2-ylimino)-2,3-dihydro-1,3-thiazol-4-yl]acetic acid 
2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]acetic acid 
2-(2-(pyridin-2-ylamino)thiazol-4-yl)acetic acid 
BBL032699 
STL319066 
STL373270 
ZINC48980997 
AKOS015958063 
AKOS022139395 
MCULE-7183287289 
Literature
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