Home Amines 1177328-03-8
1177328-03-8,MFCD16631736
Catalog No.:AA01AQDL
1177328-03-8 | 2-(1,3-Benzothiazol-2-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
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Technical Information
Catalog Number:
AA01AQDL
Chemical Name:
2-(1,3-Benzothiazol-2-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CAS Number:
1177328-03-8
Molecular Formula:
C13H12N4S
Molecular Weight:
256.3262
MDL Number:
MFCD16631736
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
InChI:
InChI=1S/C13H12N4S/c14-12-8-4-3-6-9(8)16-17(12)13-15-10-5-1-2-7-11(10)18-13/h1-2,5,7H,3-4,6,14H2
InChI Key:
DNHCMHKDOYLGDD-UHFFFAOYSA-N
SMILES:
Nc1c2CCCc2nn1c1nc2c(s1)cccc2
Properties
Computed Properties
 
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.078g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.327g/mol
Monoisotopic Mass:
256.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
2-(1,3-benzothiazol-2-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine 
1177328-03-8 
ZINC34936085 
AKOS014684368 
MCULE-4799915267 
L-3009 
F2146-0639 
2-(1,3-benzothiazol-2-yl)-4H,5H,6H-cyclopenta[c]pyrazol-3-amine 
2-(1,3-benzothiazol-2-yl)-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine 
Literature
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