5-[(3-Bromophenyl)methyl]-1,3,4-thiadiazol-2-amine

HCID 743522

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Basic information

CAS: 299936-23-5
Standard SMILES: Nc1nnc(Cc2cccc(Br)c2)s1
InChIKey: REGSTGAAXPGCLU-UHFFFAOYSA-N
Molecular formula: C9H8BrN3S
Average molar mass: 270.15 g/mol
Monoisotopic mass: 268.96223

Names & identifiers

Preferred name: 5-[(3-Bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
IUPAC: 5-[(3-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine

Names & synonyms

299936-23-55-[(3-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine5-((3-Bromophenyl)methyl)-1,3,4-thiadiazol-2-amineRefChem:2990925-(3-bromobenzyl)-1,3,4-thiadiazol-2-amineMFCD01591719Oprea1_106786Oprea1_694058MLS000780245CHEMBL1542564DTXSID601228673HMS2778I23

Show more names

STL302860AKOS011267867SMR000420428SY318359AM-879/12859003SR-010004342445-(3-Bromo-benzyl)-[1,3,4]thiadiazol-2-ylamineSR-01000434244-1

Database identifiers

CAS: 299936-23-5
PubChem CID: 743522
DTXSID: DTXSID601228673
ChEMBL: CHEMBL1542564

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 80 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 193

Experimental & physicochemical properties

Solubility27.9 [ug/mL] (The mean of the results at pH 7.4)

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