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

C20H19FN2S — CID 23882825

IUPAC3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccccc3F)n2C2CC2)c(C)c1
InChIInChI=1S/C20H19FN2S/c1-13-7-10-18(14(2)11-13)22-20-23(15-8-9-15)19(12-24-20)16-5-3-4-6-17(16)21/h3-7,10-12,15H,8-9H2,1-2H3/b22-20-
InChIKeyXCAAERFRQXAABN-XDOYNYLZSA-N
MW338.45 g/mol
LogP5.54
Rot. Bonds3

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

3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 23882825) has the molecular formula C20H19FN2S and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID23882825
Molecular FormulaC20H19FN2S
Molecular Weight338.45 g/mol
Exact Mass338.13
IUPAC Name3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCc1ccc(/N=c2\scc(-c3ccccc3F)n2C2CC2)c(C)c1
InChIInChI=1S/C20H19FN2S/c1-13-7-10-18(14(2)11-13)22-20-23(15-8-9-15)19(12-24-20)16-5-3-4-6-17(16)21/h3-7,10-12,15H,8-9H2,1-2H3/b22-20-
InChIKeyXCAAERFRQXAABN-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-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine (CID 23882825) is 3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine is Cc1ccc(/N=c2\scc(-c3ccccc3F)n2C2CC2)c(C)c1.
What is the InChIKey of 3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is XCAAERFRQXAABN-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19FN2S/c1-13-7-10-18(14(2)11-13)22-20-23(15-8-9-15)19(12-24-20)16-5-3-4-6-17(16)21/h3-7,10-12,15H,8-9H2,1-2H3/b22-20-.
What are the key properties of 3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine?
3-cyclopropyl-N-(2,4-dimethylphenyl)-4-(2-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-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23882825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).