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

C24H28FN3O2S — CID 3824828

IUPACN-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCCN2CCOCC2)cc1
InChIInChI=1S/C24H28FN3O2S/c1-2-30-22-10-8-21(9-11-22)26-24-28(13-3-12-27-14-16-29-17-15-27)23(18-31-24)19-4-6-20(25)7-5-19/h4-11,18H,2-3,12-17H2,1H3/b26-24-
InChIKeyNOMKTHGDECWRDO-LCUIJRPUSA-N
MW441.57 g/mol
LogP4.71
Rot. Bonds8

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

N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine (PubChem CID 3824828) has the molecular formula C24H28FN3O2S and a molecular weight of 441.57 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine
PubChem CID3824828
Molecular FormulaC24H28FN3O2S
Molecular Weight441.57 g/mol
Exact Mass441.19
IUPAC NameN-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCCN2CCOCC2)cc1
InChIInChI=1S/C24H28FN3O2S/c1-2-30-22-10-8-21(9-11-22)26-24-28(13-3-12-27-14-16-29-17-15-27)23(18-31-24)19-4-6-20(25)7-5-19/h4-11,18H,2-3,12-17H2,1H3/b26-24-
InChIKeyNOMKTHGDECWRDO-LCUIJRPUSA-N
XLogP4.71
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.71
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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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
N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 396118
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
(2Z)-3-benzyl-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
CID 1528671
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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine (CID 3824828) is N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCCN2CCOCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine?
The InChIKey is NOMKTHGDECWRDO-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H28FN3O2S/c1-2-30-22-10-8-21(9-11-22)26-24-28(13-3-12-27-14-16-29-17-15-27)23(18-31-24)19-4-6-20(25)7-5-19/h4-11,18H,2-3,12-17H2,1H3/b26-24-.
What are the key properties of N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine?
N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine has a molecular weight of 441.57 g/mol, XLogP of 4.71, 8 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-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 3824828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).