N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine

C23H27N3O2S — CID 18812826

IUPACN-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O2S/c1-18-3-5-19(6-4-18)22-17-29-23(24-20-7-9-21(27-2)10-8-20)26(22)12-11-25-13-15-28-16-14-25/h3-10,17H,11-16H2,1-2H3/b24-23-
InChIKeyAZPUDSOBHFBYFC-VHXPQNKSSA-N
MW409.56 g/mol
LogP4.10
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine

N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (PubChem CID 18812826) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
PubChem CID18812826
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2CCN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O2S/c1-18-3-5-19(6-4-18)22-17-29-23(24-20-7-9-21(27-2)10-8-20)26(22)12-11-25-13-15-28-16-14-25/h3-10,17H,11-16H2,1-2H3/b24-23-
InChIKeyAZPUDSOBHFBYFC-VHXPQNKSSA-N
XLogP4.10
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine (CID 18812826) is N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2CCN2CCOCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
The InChIKey is AZPUDSOBHFBYFC-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-18-3-5-19(6-4-18)22-17-29-23(24-20-7-9-21(27-2)10-8-20)26(22)12-11-25-13-15-28-16-14-25/h3-10,17H,11-16H2,1-2H3/b24-23-.
What are the key properties of N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine?
N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine has a molecular weight of 409.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 18812826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).