3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine

C23H20N2OS — CID 44761853

IUPAC3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3ccccc3)n2CCOc2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-4-10-19(11-5-1)22-18-27-23(24-20-12-6-2-7-13-20)25(22)16-17-26-21-14-8-3-9-15-21/h1-15,18H,16-17H2/b24-23-
InChIKeyWHHSHJQVEVHTKR-VHXPQNKSSA-N
MW372.49 g/mol
LogP5.53
Rot. Bonds6

About 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine

3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine (PubChem CID 44761853) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine
PubChem CID44761853
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine
SMILESc1ccc(/N=c2\scc(-c3ccccc3)n2CCOc2ccccc2)cc1
InChIInChI=1S/C23H20N2OS/c1-4-10-19(11-5-1)22-18-27-23(24-20-12-6-2-7-13-20)25(22)16-17-26-21-14-8-3-9-15-21/h1-15,18H,16-17H2/b24-23-
InChIKeyWHHSHJQVEVHTKR-VHXPQNKSSA-N
XLogP5.53
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697
2-[2-(3-chlorophenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 163332772
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168
4-phenyl-N-(4-phenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125396
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide
CID 44761837
2-[4-(4-nitrophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 71902601

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine (CID 44761853) is 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine is c1ccc(/N=c2\scc(-c3ccccc3)n2CCOc2ccccc2)cc1.
What is the InChIKey of 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine?
The InChIKey is WHHSHJQVEVHTKR-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-4-10-19(11-5-1)22-18-27-23(24-20-12-6-2-7-13-20)25(22)16-17-26-21-14-8-3-9-15-21/h1-15,18H,16-17H2/b24-23-.
What are the key properties of 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine?
3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine has a molecular weight of 372.49 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-N,4-diphenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 44761853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).