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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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).