3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

C19H17F3N2S — CID 5170510

IUPAC3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(C)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2S/c1-3-24-17(14-9-7-13(2)8-10-14)12-25-18(24)23-16-6-4-5-15(11-16)19(20,21)22/h4-12H,3H2,1-2H3/b23-18-
InChIKeyVPWJWCCRKORTCG-NKFKGCMQSA-N
MW362.42 g/mol
LogP5.80
Rot. Bonds3

About 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine (PubChem CID 5170510) has the molecular formula C19H17F3N2S and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
PubChem CID5170510
Molecular FormulaC19H17F3N2S
Molecular Weight362.42 g/mol
Exact Mass362.11
IUPAC Name3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc(C)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2S/c1-3-24-17(14-9-7-13(2)8-10-14)12-25-18(24)23-16-6-4-5-15(11-16)19(20,21)22/h4-12H,3H2,1-2H3/b23-18-
InChIKeyVPWJWCCRKORTCG-NKFKGCMQSA-N
XLogP5.80
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
3-(2-methylpropyl)-4-(4-phenylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 4017591
4-(4-chlorophenyl)-3-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine;hydrobromide
CID 90484844
4-(4-bromophenyl)-3-[(4-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine;hydrobromide
CID 90484915
3-[(4-chlorophenyl)methyl]-4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 3970174
3-[4-(4-cyclohexylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-3-yl]propan-1-ol;hydrobromide
CID 90484922
2-[2-(3-chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 755123
4-[[4-[3,5-bis(trifluoromethyl)phenyl]-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonic acid
CID 44621135
N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
CID 45125365
4-[(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)amino]benzoic acid
CID 23762242
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 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The IUPAC name of 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine (CID 5170510) is 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine.
What is the SMILES notation for 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The canonical SMILES for 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is CCn1c(-c2ccc(C)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The InChIKey is VPWJWCCRKORTCG-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H17F3N2S/c1-3-24-17(14-9-7-13(2)8-10-14)12-25-18(24)23-16-6-4-5-15(11-16)19(20,21)22/h4-12H,3H2,1-2H3/b23-18-.
What are the key properties of 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine has a molecular weight of 362.42 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 5170510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).