N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine

C19H19FN2OS — CID 18812902

IUPACN-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CC)cc1
InChIInChI=1S/C19H19FN2OS/c1-3-22-18(14-5-7-15(20)8-6-14)13-24-19(22)21-16-9-11-17(12-10-16)23-4-2/h5-13H,3-4H2,1-2H3/b21-19-
InChIKeyHXQDCHSOYVKHTP-VZCXRCSSSA-N
MW342.44 g/mol
LogP5.01
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine

N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 18812902) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID18812902
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CC)cc1
InChIInChI=1S/C19H19FN2OS/c1-3-22-18(14-5-7-15(20)8-6-14)13-24-19(22)21-16-9-11-17(12-10-16)23-4-2/h5-13H,3-4H2,1-2H3/b21-19-
InChIKeyHXQDCHSOYVKHTP-VZCXRCSSSA-N
XLogP5.01
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.01
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

4-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2-imine
CID 1037728
2-[2-(4-ethoxyphenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 138392628
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
N-(4-ethoxyphenyl)-3-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 146050869
2-[4-(4-chlorophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazol-3-yl]ethanol
CID 979063
2-[2-(4-chlorophenyl)imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]ethanol
CID 51370288
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 44761956
3-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-ethoxyphenyl)-1,3-thiazol-3-yl]propan-1-ol
CID 2716833
N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
CID 45125365
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
3-tert-butyl-N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 18813030
4-(4-chlorophenyl)-N,3-bis(4-ethoxyphenyl)-1,3-thiazol-2-imine
CID 18812994

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine (CID 18812902) is N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine is CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is HXQDCHSOYVKHTP-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-3-22-18(14-5-7-15(20)8-6-14)13-24-19(22)21-16-9-11-17(12-10-16)23-4-2/h5-13H,3-4H2,1-2H3/b21-19-.
What are the key properties of N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 342.44 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 18812902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).