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1823183-32-9,MFCD28347955
Catalog No.:AA00IQ7L
1823183-32-9 | 4-{2-[(2,3-dichlorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}pyrimidin-2-amine
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Technical Information
Catalog Number:
AA00IQ7L
Chemical Name:
4-{2-[(2,3-dichlorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}pyrimidin-2-amine
CAS Number:
1823183-32-9
Molecular Formula:
C14H11Cl2N5S
Molecular Weight:
352.2416
MDL Number:
MFCD28347955
IUPAC Name:
5-(2-aminopyrimidin-4-yl)-N-(2,3-dichlorophenyl)-4-methyl-1,3-thiazol-2-amine
InChI:
InChI=1S/C14H11Cl2N5S/c1-7-12(10-5-6-18-13(17)20-10)22-14(19-7)21-9-4-2-3-8(15)11(9)16/h2-6H,1H3,(H,19,21)(H2,17,18,20)
InChI Key:
SALPYELFSKDPMS-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)c1sc(nc1C)Nc1cccc(c1Cl)Cl
Properties
Computed Properties
 
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.011g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
352.237g/mol
Monoisotopic Mass:
351.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
4-{2-[(2,3-dichlorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}pyrimidin-2-amine 
1823183-32-9 
KS-00001YTD 
AKOS025393998 
ZINC221597560 
6R-9059 
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