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71080-10-9

71080-10-9 | 1-ETHYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE

CAS No: 71080-10-9 Catalog No: AG005OGH MDL No:

Product Description

Catalog Number:
AG005OGH
Chemical Name:
1-ETHYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS Number:
71080-10-9
Molecular Formula:
C16H17N5S
Molecular Weight:
311.4047
IUPAC Name:
2-ethyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C16H17N5S/c1-3-17-15(21-16-18-8-9-22-16)20-14-10-11(2)19-13-7-5-4-6-12(13)14/h4-10H,3H2,1-2H3,(H2,17,18,19,20,21)
InChI Key:
QNJZKUSPDWJXST-UHFFFAOYSA-N
SMILES:
CCNC(=Nc1cc(C)nc2c1cccc2)Nc1nccs1

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.12g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.407g/mol
Monoisotopic Mass:
311.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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