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

C22H23FN2S — CID 139232315

IUPAC4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCc1ccc(/N=c2\sc(-c3ccccc3F)c(C3CC3)n2CC)cc1
InChIInChI=1S/C22H23FN2S/c1-3-15-9-13-17(14-10-15)24-22-25(4-2)20(16-11-12-16)21(26-22)18-7-5-6-8-19(18)23/h5-10,13-14,16H,3-4,11-12H2,1-2H3/b24-22-
InChIKeyRAVQZTPVABCYKT-GYHWCHFESA-N
MW366.51 g/mol
LogP6.05
Rot. Bonds5

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

4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 139232315) has the molecular formula C22H23FN2S and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID139232315
Molecular FormulaC22H23FN2S
Molecular Weight366.51 g/mol
Exact Mass366.16
IUPAC Name4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine
SMILESCCc1ccc(/N=c2\sc(-c3ccccc3F)c(C3CC3)n2CC)cc1
InChIInChI=1S/C22H23FN2S/c1-3-15-9-13-17(14-10-15)24-22-25(4-2)20(16-11-12-16)21(26-22)18-7-5-6-8-19(18)23/h5-10,13-14,16H,3-4,11-12H2,1-2H3/b24-22-
InChIKeyRAVQZTPVABCYKT-GYHWCHFESA-N
XLogP6.05
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine (CID 139232315) is 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine is CCc1ccc(/N=c2\sc(-c3ccccc3F)c(C3CC3)n2CC)cc1.
What is the InChIKey of 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is RAVQZTPVABCYKT-GYHWCHFESA-N. The full InChI is InChI=1S/C22H23FN2S/c1-3-15-9-13-17(14-10-15)24-22-25(4-2)20(16-11-12-16)21(26-22)18-7-5-6-8-19(18)23/h5-10,13-14,16H,3-4,11-12H2,1-2H3/b24-22-.
What are the key properties of 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine?
4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 366.51 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-ethyl-N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 139232315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).