N-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyl-1H-tetrazol-5-yl)-1-phenylmethanimine

HCID 86649974

Notes Reactions

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Basic information

Standard SMILES: Cn1nnnc1C(=NOCc1csc(Br)n1)c1ccccc1
InChIKey: NWWAXJGQMXAMCY-UHFFFAOYSA-N
Molecular formula: C13H11BrN6OS
Average molar mass: 379.24 g/mol
Monoisotopic mass: 377.98984

Names & identifiers

Preferred name: N-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyl-1H-tetrazol-5-yl)-1-phenylmethanimine
IUPAC: N-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyltetrazol-5-yl)-1-phenylmethanimine

Names & synonyms

SCHEMBL966546NWWAXJGQMXAMCY-UHFFFAOYSA-NN-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyl-1H-tetrazol-5-yl)-1-phenyl-methanimineN-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(1-methyl-1H-tetrazol-5-yl)-1-phenylmethanimine

Database identifiers

PubChem CID: 86649974

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 106 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 395

Related reactions

13 records

New reaction record

HRID 85857As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 107150As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 307356As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 935980As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 950241As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1042341As productuspto-grants-2013_10

HRID 1042342As reactantuspto-grants-2013_10

HRID 1230525As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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