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81837-98-1 | Benzamide, N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-
CAS No: 81837-98-1 Catalog No: AG0056PU MDL No:MFCD13248746
Product Description
Catalog Number:
AG0056PU
Chemical Name:
Benzamide, N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-
CAS Number:
81837-98-1
Molecular Formula:
C10H10N4OS
Molecular Weight:
234.2776
MDL Number:
MFCD13248746
IUPAC Name:
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
InChI:
InChI=1S/C10H10N4OS/c11-10-14-13-8(16-10)6-12-9(15)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)(H,12,15)
InChI Key:
RJNSDUNRYYQVLO-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)CNC(=O)c1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.277g/mol
Monoisotopic Mass:
234.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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