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4-Pyridinecarboxamide, N-1,3,4-thiadiazol-2-yl- N-(1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide 51988-00-2
Identification and Related Records
【Name】
N-(1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
【Iupac name】
N-(1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
【CAS Registry number】
51988-00-2
【Synonyms】
4-pyridinecarboxamide, N-1,3,4-thiadiazol-2-yl-
N-(1,3,4-Thiadiazol-2-yl)isonicotinamide
N4-(1,3,4-thiadiazol-2-yl)isonicotinamide
【Molecular Formula】
C8H6N4OS (Products with the same molecular formula)
【Molecular Weight】
206.2244
【Inchi】
InChI=1/C8H6N4OS/c13-7(6-1-3-9-4-2-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13)
【Canonical SMILES】
C1=CN=CC=C1C(=O)NC2=NN=CS2
【MOL File】
51988-00-2.mol
Chemical and Physical Properties
【Density】
1.5g/cm3
【Refractive Index】
1.706
【Computed Properties】
Molecular Weight:206.22444 [g/mol]
Molecular Formula:C8H6N4OS
XLogP3-AA:0.5
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:206.026232
MonoIsotopic Mass:206.026232
Topological Polar Surface Area:96
Heavy Atom Count:14
Formal Charge:0
Complexity:208
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:3
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