4-(2-(4-(Benzo[D]thiazol-2-ylamino)phenoxy)pyridin-3-YL)cyclohexanol

HCID 59326951

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: OC1CCC(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1
InChIKey: HYXSQWHZJSHRQC-UHFFFAOYSA-N
Molecular formula: C24H23N3O2S
Average molar mass: 417.5 g/mol

Names & identifiers

Preferred name: 4-(2-(4-(Benzo[D]thiazol-2-ylamino)phenoxy)pyridin-3-YL)cyclohexanol
IUPAC: 4-[2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]cyclohexan-1-ol

Names & synonyms

SCHEMBL2457002SCHEMBL3319399CHEMBL3690344CHEMBL3690345SCHEMBL13332221HYXSQWHZJSHRQC-UHFFFAOYSA-NBDBM124511BDBM124512US8759532, 188US8759532, 1894-(2-(4-(BENZO[D]THIAZOL-2-YLAMINO)PHENOXY)PYRIDIN-3-YL)CYCLOHEXANOL

Database identifiers

PubChem CID: 59326951
ChEMBL: CHEMBL3690344、CHEMBL3690345

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 95.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 537

Related reactions

3 records

New reaction record

HRID 284096As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 410238As productuspto-grants-2014_06

HRID 1880105As productuspto-grants-2012_11

Compound notes

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