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

C17H14FN3S — CID 6902624

IUPAC(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccccc1
InChIInChI=1S/C17H14FN3S/c1-19-17-21(20-11-13-7-3-2-4-8-13)16(12-22-17)14-9-5-6-10-15(14)18/h2-12H,1H3/b19-17-,20-11+
InChIKeyKBSLPHPTXUPWNM-MXPDZRDSSA-N
MW311.39 g/mol
LogP3.77
Rot. Bonds3

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

(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine (PubChem CID 6902624) has the molecular formula C17H14FN3S and a molecular weight of 311.39 g/mol. Its IUPAC name is (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
PubChem CID6902624
Molecular FormulaC17H14FN3S
Molecular Weight311.39 g/mol
Exact Mass311.09
IUPAC Name(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccccc1
InChIInChI=1S/C17H14FN3S/c1-19-17-21(20-11-13-7-3-2-4-8-13)16(12-22-17)14-9-5-6-10-15(14)18/h2-12H,1H3/b19-17-,20-11+
InChIKeyKBSLPHPTXUPWNM-MXPDZRDSSA-N
XLogP3.77
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.77
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 (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine (CID 6902624) is (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccccc1.
What is the InChIKey of (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The InChIKey is KBSLPHPTXUPWNM-MXPDZRDSSA-N. The full InChI is InChI=1S/C17H14FN3S/c1-19-17-21(20-11-13-7-3-2-4-8-13)16(12-22-17)14-9-5-6-10-15(14)18/h2-12H,1H3/b19-17-,20-11+.
What are the key properties of (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine has a molecular weight of 311.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6902624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).