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

C23H28BrN3O2S — CID 16806844

IUPAC4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O2S.BrH/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;1H/b24-23-;
InChIKeyVYEGNZSRHAKWGG-DCXSSQDFSA-N
MW490.47 g/mol
LogP4.76
Rot. Bonds7

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

4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 16806844) has the molecular formula C23H28BrN3O2S and a molecular weight of 490.47 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
PubChem CID16806844
Molecular FormulaC23H28BrN3O2S
Molecular Weight490.47 g/mol
Exact Mass489.11
IUPAC Name4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O2S.BrH/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;1H/b24-23-;
InChIKeyVYEGNZSRHAKWGG-DCXSSQDFSA-N
XLogP4.76
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.47
LogP ≤ 54.76
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
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CID 71254306
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
3-[(2Z)-2-[(4-ethoxyphenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 4410921

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide (CID 16806844) is 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide is Br.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;hydrobromide?
The InChIKey is VYEGNZSRHAKWGG-DCXSSQDFSA-N. The full InChI is InChI=1S/C23H27N3O2S.BrH/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;1H/b24-23-;.
What are the key properties of 4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide?
4-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 490.47 g/mol, XLogP of 4.76, 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;hydrobromide is sourced from PubChem (CID 16806844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).