N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine

C23H27N3OS — CID 7614915

IUPACN-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccccc3)n2CCCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3OS/c1-19-8-10-21(11-9-19)24-23-26(13-5-12-25-14-16-27-17-15-25)22(18-28-23)20-6-3-2-4-7-20/h2-4,6-11,18H,5,12-17H2,1H3/b24-23-
InChIKeyKEJKRCCHRXHXEU-VHXPQNKSSA-N
MW393.56 g/mol
LogP4.48
Rot. Bonds6

About N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine

N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 7614915) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine
PubChem CID7614915
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccccc3)n2CCCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3OS/c1-19-8-10-21(11-9-19)24-23-26(13-5-12-25-14-16-27-17-15-25)22(18-28-23)20-6-3-2-4-7-20/h2-4,6-11,18H,5,12-17H2,1H3/b24-23-
InChIKeyKEJKRCCHRXHXEU-VHXPQNKSSA-N
XLogP4.48
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 18812826
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392682
4-(4-bromophenyl)-N-(2-methylphenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine;hydrobromide
CID 44788756
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168
4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392708
4-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-3-(3-morpholin-4-ylpropyl)-N-phenyl-1,3-thiazol-2-imine
CID 5120876
4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
CID 138392669
4-(4-chlorophenyl)-N-(4-ethylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392799
N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-pentyl-1,3-thiazol-2-imine
CID 18813162
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 3800122
4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine
CID 18812836
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine (CID 7614915) is N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(-c3ccccc3)n2CCCN2CCOCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is KEJKRCCHRXHXEU-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-19-8-10-21(11-9-19)24-23-26(13-5-12-25-14-16-27-17-15-25)22(18-28-23)20-6-3-2-4-7-20/h2-4,6-11,18H,5,12-17H2,1H3/b24-23-.
What are the key properties of N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine?
N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 393.56 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 7614915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).