Home Aminos propanamide, N-[5-(aminomethyl)-4-(2,2-dimethyl-1-oxopropyl)-4,5-dihydro-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-, monohydrochloride

propanamide, N-[5-(aminomethyl)-4-(2,2-dimethyl-1-oxopropyl)-4,5-dihydro-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-, monohydrochloride

CAS No.:
781675-10-3
Catalog Number:
AG00G3SO
Molecular Formula:
C19H29ClN4O2S
Molecular Weight:
412.9772
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Product Description
Catalog Number:
AG00G3SO
Chemical Name:
propanamide, N-[5-(aminomethyl)-4-(2,2-dimethyl-1-oxopropyl)-4,5-dihydro-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-, monohydrochloride
CAS Number:
781675-10-3
Molecular Formula:
C19H29ClN4O2S
Molecular Weight:
412.9772
MDL Number:
MFCD29924776
IUPAC Name:
N-[5-(aminomethyl)-4-(2,2-dimethylpropanoyl)-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide;hydrochloride
InChI:
InChI=1S/C19H28N4O2S.ClH/c1-17(2,3)14(24)21-16-22-23(15(25)18(4,5)6)19(12-20,26-16)13-10-8-7-9-11-13;/h7-11H,12,20H2,1-6H3,(H,21,22,24);1H
InChI Key:
MRPTZLZDYSSYPA-UHFFFAOYSA-N
SMILES:
NCC1(SC(=NN1C(=O)C(C)(C)C)NC(=O)C(C)(C)C)c1ccccc1.Cl
Properties
Complexity:
585  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.17g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
412.977g/mol
Monoisotopic Mass:
412.17g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties