4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine

C21H23N3O2S — CID 5301961

IUPAC4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2N2CCOCC2)cc1
InChIInChI=1S/C21H23N3O2S/c1-16-20(17-8-10-19(25-2)11-9-17)24(23-12-14-26-15-13-23)21(27-16)22-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3/b22-21-
InChIKeyCLBMYLJPDACFGN-DQRAZIAOSA-N
MW381.50 g/mol
LogP3.73
Rot. Bonds4

About 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine

4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine (PubChem CID 5301961) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine
PubChem CID5301961
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2N2CCOCC2)cc1
InChIInChI=1S/C21H23N3O2S/c1-16-20(17-8-10-19(25-2)11-9-17)24(23-12-14-26-15-13-23)21(27-16)22-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3/b22-21-
InChIKeyCLBMYLJPDACFGN-DQRAZIAOSA-N
XLogP3.73
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(1-Methyl-5,10-dihydro-[1,3]thiazolo[3,2-b][2,4]benzodiazepin-2-yl)phenoxy]propyl]morpholine
CID 71254306
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
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazol-3(2H)-yl]ethanol
CID 1514809
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
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-methyl-N-(4-methylphenyl)-1,3-thiazolidin-2-imine
CID 155520129
(5Z)-N-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-2-imine
CID 155535728

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine (CID 5301961) is 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine is COc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is CLBMYLJPDACFGN-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-16-20(17-8-10-19(25-2)11-9-17)24(23-12-14-26-15-13-23)21(27-16)22-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3/b22-21-.
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 381.50 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 5301961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).