4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine

C16H13FN2S — CID 625006

IUPAC4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine
SMILESCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C16H13FN2S/c1-19-15(12-7-9-13(17)10-8-12)11-20-16(19)18-14-5-3-2-4-6-14/h2-11H,1H3/b18-16-
InChIKeyJWBHGLNUQXNCEY-VLGSPTGOSA-N
MW284.36 g/mol
LogP4.13
Rot. Bonds2

About 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine

4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine (PubChem CID 625006) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine
PubChem CID625006
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine
SMILESCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C16H13FN2S/c1-19-15(12-7-9-13(17)10-8-12)11-20-16(19)18-14-5-3-2-4-6-14/h2-11H,1H3/b18-16-
InChIKeyJWBHGLNUQXNCEY-VLGSPTGOSA-N
XLogP4.13
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.13
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 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine (CID 625006) is 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine is Cn1c(-c2ccc(F)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is JWBHGLNUQXNCEY-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13FN2S/c1-19-15(12-7-9-13(17)10-8-12)11-20-16(19)18-14-5-3-2-4-6-14/h2-11H,1H3/b18-16-.
What are the key properties of 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 284.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-methyl-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 625006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).