(Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine

C21H21N3OS — CID 73345964

IUPAC(Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine
SMILESC/C(=N/c1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3OS/c1-16(17-7-9-19(10-8-17)24-11-13-25-14-12-24)22-21-23-20(15-26-21)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b22-16-
InChIKeyBCCMOEKGVLNJHQ-JWGURIENSA-N
MW363.49 g/mol
LogP4.79
Rot. Bonds4

About (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine

(Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine (PubChem CID 73345964) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine.

Molecular Properties

Compound Name(Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine
PubChem CID73345964
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name(Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine
SMILESC/C(=N/c1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3OS/c1-16(17-7-9-19(10-8-17)24-11-13-25-14-12-24)22-21-23-20(15-26-21)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b22-16-
InChIKeyBCCMOEKGVLNJHQ-JWGURIENSA-N
XLogP4.79
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine?
The IUPAC name of (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine (CID 73345964) is (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine.
What is the SMILES notation for (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine?
The canonical SMILES for (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine is C/C(=N/c1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine?
The InChIKey is BCCMOEKGVLNJHQ-JWGURIENSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-16(17-7-9-19(10-8-17)24-11-13-25-14-12-24)22-21-23-20(15-26-21)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b22-16-.
What are the key properties of (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine?
(Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine has a molecular weight of 363.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-morpholin-4-ylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanimine is sourced from PubChem (CID 73345964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).