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N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

HCID 735969
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Basic information

CAS
556042-48-9
Standard SMILES
O=C(Nc1nnc(C2CC2)s1)c1ccccc1
InChIKey
OEPZYXYBQGESTK-UHFFFAOYSA-N
Molecular formula
C12H11N3OS
Average molar mass
245.3 g/mol
Monoisotopic mass
245.06228316

Names & identifiers

Preferred name
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
IUPAC
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
English name
Benzamide, N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)- (9CI)
Molecular formula
C12H11N3OS
Molecular weight
245.3

Names & synonyms

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide556042-48-9HMS1438K10Maybridge3_002694Oprea1_191087DTXSID40352893STK462312AKOS001148950CCG-237859IDI1_014081CS-0294593ST50940654
Show more names
Benzamide, N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-Benzamide, N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)- (9CI)
N-(5-cyclopropyl(1,3,4-thiadiazol-2-yl))benzamideZ27167177

Database identifiers

CAS
556042-48-9
PubChem CID
735969
DTXSID
DTXSID40352893

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
289

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