4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine

C22H27N4OS+ — CID 9179343

IUPAC4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine
SMILESCCOc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CC[NH+](C)CC2)cc1
InChIInChI=1S/C22H26N4OS/c1-3-27-20-11-9-18(10-12-20)21-17-28-22(23-19-7-5-4-6-8-19)26(21)25-15-13-24(2)14-16-25/h4-12,17H,3,13-16H2,1-2H3/p+1/b23-22-
InChIKeyCEADAUOJICQDJJ-FCQUAONHSA-O
MW395.55 g/mol
LogP2.31
Rot. Bonds5

About 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine

4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 9179343) has the molecular formula C22H27N4OS+ and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID9179343
Molecular FormulaC22H27N4OS+
Molecular Weight395.55 g/mol
Exact Mass395.19
IUPAC Name4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine
SMILESCCOc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CC[NH+](C)CC2)cc1
InChIInChI=1S/C22H26N4OS/c1-3-27-20-11-9-18(10-12-20)21-17-28-22(23-19-7-5-4-6-8-19)26(21)25-15-13-24(2)14-16-25/h4-12,17H,3,13-16H2,1-2H3/p+1/b23-22-
InChIKeyCEADAUOJICQDJJ-FCQUAONHSA-O
XLogP2.31
TPSA34.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine with MolForge

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Related Compounds

4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
CID 45145106
N-(4-ethoxyphenyl)-3-methyl-4-naphthalen-2-yl-1,3-thiazol-2-imine
CID 4990140
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
4-(4-chlorophenyl)-N,3-bis(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 18812994
3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18813030
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
3-tert-butyl-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 3744406
4-(4-cyclohexylphenyl)-N-(4-ethoxyphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392853
3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine
CID 44761853
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
N-(4-ethoxyphenyl)-3-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 146050869

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine (CID 9179343) is 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine is CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CC[NH+](C)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is CEADAUOJICQDJJ-FCQUAONHSA-O. The full InChI is InChI=1S/C22H26N4OS/c1-3-27-20-11-9-18(10-12-20)21-17-28-22(23-19-7-5-4-6-8-19)26(21)25-15-13-24(2)14-16-25/h4-12,17H,3,13-16H2,1-2H3/p+1/b23-22-.
What are the key properties of 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine?
4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 395.55 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 9179343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).