N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine

C23H26FN3O2S — CID 18813051

IUPACN-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H26FN3O2S/c1-2-29-21-9-7-20(8-10-21)25-23-27(12-11-26-13-15-28-16-14-26)22(17-30-23)18-3-5-19(24)6-4-18/h3-10,17H,2,11-16H2,1H3/b25-23-
InChIKeyBDAPSHNBVBXMJO-BZZOAKBMSA-N
MW427.55 g/mol
LogP4.32
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine

N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (PubChem CID 18813051) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
PubChem CID18813051
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC NameN-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H26FN3O2S/c1-2-29-21-9-7-20(8-10-21)25-23-27(12-11-26-13-15-28-16-14-26)22(17-30-23)18-3-5-19(24)6-4-18/h3-10,17H,2,11-16H2,1H3/b25-23-
InChIKeyBDAPSHNBVBXMJO-BZZOAKBMSA-N
XLogP4.32
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)phenyl)-5,6-dihydroimidazo[2,1-b]thiazole
CID 44589376
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 683363
3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
CID 693862
2-[(2Z)-4-(4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 701126
N-(4-ethoxyphenyl)-N-(4-[4-(4-morpholinylsulfonyl)phenyl]-3-propyl-1,3-thiazol-2(3H)-ylidene)amine
CID 1037718
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazol-3(2H)-yl]ethanol
CID 1514809
3-[(2Z)-2-[(4-ethoxyphenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 4410921
CID 9549117
CID 9549117
2-(4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-1,3-thiazol-3(2H)-yl)ethanol
CID 9549118
2-((2Z)-2-[(4-ethoxyphenyl)imino]-4-phenyl-1,3-thiazol-3(2H)-yl)ethanol hydrobromide
CID 9551314
N-(4-ethoxyphenyl)-N-(2-fluorobenzyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine 5,5-dioxide
CID 16195857
(4Z)-1-(4-Ethoxyphenyl)-4-[(4-fluorophenyl)methylidene]-2-{[1-(morpholin-4-YL)-1-oxobutan-2-YL]sulfanyl}-4,5-dihydro-1H-imidazol-5-one
CID 23834869

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (CID 18813051) is N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is BDAPSHNBVBXMJO-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-2-29-21-9-7-20(8-10-21)25-23-27(12-11-26-13-15-28-16-14-26)22(17-30-23)18-3-5-19(24)6-4-18/h3-10,17H,2,11-16H2,1H3/b25-23-.
What are the key properties of N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 427.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 18813051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).