{5-[4-(3-Dimethylamino-propoxy)-phenyl]-thiazol-2-yl}phenyl-amine

HCID 11245147

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)CCCOc1ccc(-c2cnc(Nc3ccccc3)s2)cc1
InChIKey: XWDKIIBMWATNEV-UHFFFAOYSA-N
Molecular formula: C20H23N3OS
Average molar mass: 353.5 g/mol

Names & identifiers

Preferred name: {5-[4-(3-Dimethylamino-propoxy)-phenyl]-thiazol-2-yl}phenyl-amine
IUPAC: 5-[4-[3-(dimethylamino)propoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine

Names & synonyms

SCHEMBL3604506XWDKIIBMWATNEV-UHFFFAOYSA-N{5-[4-(3-dimethylamino-propoxy)-phenyl]-thiazol-2-yl}phenyl-amine{5-[4-(3-Dimethylamino-propoxy)-phenyl]-thiazol-2-yl}-phenyl-amine

Database identifiers

PubChem CID: 11245147

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 65.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 368

Related reactions

28 records

New reaction record

HRID 116863As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 293412As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 299225As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 312191As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 313855As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 316457As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 943175As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1150434As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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