4-Methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl-amine

HCID 22015735

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C2CCOCC2)c2sc(N)nc12
InChIKey: IROSJWQNPFYKIH-UHFFFAOYSA-N
Molecular formula: C13H16N2O2S
Average molar mass: 264.35 g/mol
Monoisotopic mass: 264.09324893

Names & identifiers

Preferred name: 4-Methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl-amine
IUPAC: 4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-amine

Names & synonyms

554411-25-54-methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl-amineSCHEMBL5035963IROSJWQNPFYKIH-UHFFFAOYSA-NDA-392004-methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-ylamine

Database identifiers

PubChem CID: 22015735
Nikkaji: J2.822.053G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 85.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 286

Related reactions

34 records

New reaction record

HRID 117525As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 294217As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 811372As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 812626As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 837284As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 968538As productuspto-grants-2007_12

HRID 968539As reactantuspto-grants-2007_12

HRID 968543As productuspto-grants-2007_12

Compound notes

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