Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate

HCID 2860189

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Basic information

CAS: 5669-81-8
Standard SMILES: COC(=O)CC1(C)NN=C(c2ccccc2)S1
InChIKey: OVPZUEOSSQZWNB-UHFFFAOYSA-N
Molecular formula: C12H14N2O2S
Average molar mass: 250.32 g/mol
Monoisotopic mass: 250.07759887

Names & identifiers

Preferred name: Methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetate
IUPAC: methyl 2-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)acetate

Names & synonyms

methyl (2-methyl-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)acetateSTK36994887649-97-65669-81-8SCHEMBL6277493DTXSID00386351DTXSID301170095HMS1584H01methyl 2-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)acetateAKOS005445436ST50877638AB00092732-01

Show more names

methyl 2-(2-methyl-5-phenyl-1,3,4-thiadiazolin-2-yl)acetateMethyl 2,3-dihydro-2-methyl-5-phenyl-1,3,4-thiadiazole-2-acetate

Database identifiers

CAS: 5669-81-8、87649-97-6
PubChem CID: 2860189
DTXSID: DTXSID00386351

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 76 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 326

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