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

C22H24FN3O2S — CID 3800122

IUPAC4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C22H24FN3O2S/c1-27-20-8-6-19(7-9-20)24-22-26(11-10-25-12-14-28-15-13-25)21(16-29-22)17-2-4-18(23)5-3-17/h2-9,16H,10-15H2,1H3/b24-22-
InChIKeyQPUORKWNEHWCNV-GYHWCHFESA-N
MW413.52 g/mol
LogP3.93
Rot. Bonds6

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

4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (PubChem CID 3800122) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
PubChem CID3800122
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC Name4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C22H24FN3O2S/c1-27-20-8-6-19(7-9-20)24-22-26(11-10-25-12-14-28-15-13-25)21(16-29-22)17-2-4-18(23)5-3-17/h2-9,16H,10-15H2,1H3/b24-22-
InChIKeyQPUORKWNEHWCNV-GYHWCHFESA-N
XLogP3.93
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (CID 3800122) is 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCN2CCOCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is QPUORKWNEHWCNV-GYHWCHFESA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-27-20-8-6-19(7-9-20)24-22-26(11-10-25-12-14-28-15-13-25)21(16-29-22)17-2-4-18(23)5-3-17/h2-9,16H,10-15H2,1H3/b24-22-.
What are the key properties of 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 413.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3800122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).