4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine

C17H13F2N3S — CID 2380455

IUPAC4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1N=Cc1cccc(F)c1
InChIInChI=1S/C17H13F2N3S/c1-20-17-22(21-10-12-5-4-6-13(18)9-12)16(11-23-17)14-7-2-3-8-15(14)19/h2-11H,1H3/b20-17-,21-10?
InChIKeyPAGIJYLINSBZII-GTAFPLHQSA-N
MW329.38 g/mol
LogP3.91
Rot. Bonds3

About 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine

4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (PubChem CID 2380455) has the molecular formula C17H13F2N3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
PubChem CID2380455
Molecular FormulaC17H13F2N3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1N=Cc1cccc(F)c1
InChIInChI=1S/C17H13F2N3S/c1-20-17-22(21-10-12-5-4-6-13(18)9-12)16(11-23-17)14-7-2-3-8-15(14)19/h2-11H,1H3/b20-17-,21-10?
InChIKeyPAGIJYLINSBZII-GTAFPLHQSA-N
XLogP3.91
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine (CID 2380455) is 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2F)n1N=Cc1cccc(F)c1.
What is the InChIKey of 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
The InChIKey is PAGIJYLINSBZII-GTAFPLHQSA-N. The full InChI is InChI=1S/C17H13F2N3S/c1-20-17-22(21-10-12-5-4-6-13(18)9-12)16(11-23-17)14-7-2-3-8-15(14)19/h2-11H,1H3/b20-17-,21-10?.
What are the key properties of 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine has a molecular weight of 329.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-[(3-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2380455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).