4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine

C22H20N4OS — CID 163209405

IUPAC4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2ccc(C#Cc3ccc(N4CCOCC4)cc3)cn2)cs1
InChIInChI=1S/C22H20N4OS/c23-22-25-20(16-28-22)8-7-19-6-3-18(15-24-19)2-1-17-4-9-21(10-5-17)26-11-13-27-14-12-26/h3-10,15-16H,11-14H2,(H2,23,25)/b8-7+
InChIKeyJWPKGTDMXNOCMH-BQYQJAHWSA-N
MW388.50 g/mol
LogP3.53
Rot. Bonds3

About 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine (PubChem CID 163209405) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine
PubChem CID163209405
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine
SMILESNc1nc(/C=C/c2ccc(C#Cc3ccc(N4CCOCC4)cc3)cn2)cs1
InChIInChI=1S/C22H20N4OS/c23-22-25-20(16-28-22)8-7-19-6-3-18(15-24-19)2-1-17-4-9-21(10-5-17)26-11-13-27-14-12-26/h3-10,15-16H,11-14H2,(H2,23,25)/b8-7+
InChIKeyJWPKGTDMXNOCMH-BQYQJAHWSA-N
XLogP3.53
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine (CID 163209405) is 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine is Nc1nc(/C=C/c2ccc(C#Cc3ccc(N4CCOCC4)cc3)cn2)cs1.
What is the InChIKey of 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine?
The InChIKey is JWPKGTDMXNOCMH-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H20N4OS/c23-22-25-20(16-28-22)8-7-19-6-3-18(15-24-19)2-1-17-4-9-21(10-5-17)26-11-13-27-14-12-26/h3-10,15-16H,11-14H2,(H2,23,25)/b8-7+.
What are the key properties of 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine has a molecular weight of 388.50 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-[2-(4-morpholin-4-ylphenyl)ethynyl]-2-pyridinyl]ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 163209405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).