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

C23H27N3O2S — CID 4109003

IUPAC4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O2S/c1-2-28-21-10-8-19(9-11-21)22-18-29-23(24-20-6-4-3-5-7-20)26(22)13-12-25-14-16-27-17-15-25/h3-11,18H,2,12-17H2,1H3/b24-23-
InChIKeyZBUCSKDVIGBMQG-VHXPQNKSSA-N
MW409.56 g/mol
LogP4.18
Rot. Bonds7

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

4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 4109003) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID4109003
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
SMILESCCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O2S/c1-2-28-21-10-8-19(9-11-21)22-18-29-23(24-20-6-4-3-5-7-20)26(22)13-12-25-14-16-27-17-15-25/h3-11,18H,2,12-17H2,1H3/b24-23-
InChIKeyZBUCSKDVIGBMQG-VHXPQNKSSA-N
XLogP4.18
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.18
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

Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(4-propoxyphenyl)-, monohydrochloride
CID 3076280
4-[3-[4-(1-Methyl-5,10-dihydro-[1,3]thiazolo[3,2-b][2,4]benzodiazepin-2-yl)phenoxy]propyl]morpholine
CID 71254306
3-(4-Butoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazole
CID 1945075
6-(4-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)phenyl)-5,6-dihydroimidazo[2,1-b]thiazole
CID 44589376
3-(4-Ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 686784
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 683363
(Z)-2-((4-(4-methoxyphenyl)-3-phenylthiazol-2(3H)-ylidene)amino)ethanol hydrobromide
CID 18552734
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine (CID 4109003) is 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine is CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is ZBUCSKDVIGBMQG-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-2-28-21-10-8-19(9-11-21)22-18-29-23(24-20-6-4-3-5-7-20)26(22)13-12-25-14-16-27-17-15-25/h3-11,18H,2,12-17H2,1H3/b24-23-.
What are the key properties of 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine?
4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 409.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 4109003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).