3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine

C20H19FN2S — CID 23963290

IUPAC3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(C)c(/N=c2\scc(-c3ccc(F)cc3)n2C2CC2)c1
InChIInChI=1S/C20H19FN2S/c1-13-3-4-14(2)18(11-13)22-20-23(17-9-10-17)19(12-24-20)15-5-7-16(21)8-6-15/h3-8,11-12,17H,9-10H2,1-2H3/b22-20-
InChIKeyCFOCHDLXNOAUNZ-XDOYNYLZSA-N
MW338.45 g/mol
LogP5.54
Rot. Bonds3

About 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine

3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 23963290) has the molecular formula C20H19FN2S and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID23963290
Molecular FormulaC20H19FN2S
Molecular Weight338.45 g/mol
Exact Mass338.13
IUPAC Name3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(C)c(/N=c2\scc(-c3ccc(F)cc3)n2C2CC2)c1
InChIInChI=1S/C20H19FN2S/c1-13-3-4-14(2)18(11-13)22-20-23(17-9-10-17)19(12-24-20)15-5-7-16(21)8-6-15/h3-8,11-12,17H,9-10H2,1-2H3/b22-20-
InChIKeyCFOCHDLXNOAUNZ-XDOYNYLZSA-N
XLogP5.54
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.54
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-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine (CID 23963290) is 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine is Cc1ccc(C)c(/N=c2\scc(-c3ccc(F)cc3)n2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is CFOCHDLXNOAUNZ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19FN2S/c1-13-3-4-14(2)18(11-13)22-20-23(17-9-10-17)19(12-24-20)15-5-7-16(21)8-6-15/h3-8,11-12,17H,9-10H2,1-2H3/b22-20-.
What are the key properties of 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 338.45 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23963290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).