3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

C19H16FN3S — CID 23911393

IUPAC3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1N=Cc1ccccc1
InChIInChI=1S/C19H16FN3S/c1-2-12-21-19-23(22-13-15-8-4-3-5-9-15)18(14-24-19)16-10-6-7-11-17(16)20/h2-11,13-14H,1,12H2/b21-19-,22-13?
InChIKeyRQBIZYBDWHKQOM-VKCFHCLMSA-N
MW337.42 g/mol
LogP4.32
Rot. Bonds5

About 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine

3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23911393) has the molecular formula C19H16FN3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID23911393
Molecular FormulaC19H16FN3S
Molecular Weight337.42 g/mol
Exact Mass337.10
IUPAC Name3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1N=Cc1ccccc1
InChIInChI=1S/C19H16FN3S/c1-2-12-21-19-23(22-13-15-8-4-3-5-9-15)18(14-24-19)16-10-6-7-11-17(16)20/h2-11,13-14H,1,12H2/b21-19-,22-13?
InChIKeyRQBIZYBDWHKQOM-VKCFHCLMSA-N
XLogP4.32
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine (CID 23911393) is 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2F)n1N=Cc1ccccc1.
What is the InChIKey of 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is RQBIZYBDWHKQOM-VKCFHCLMSA-N. The full InChI is InChI=1S/C19H16FN3S/c1-2-12-21-19-23(22-13-15-8-4-3-5-9-15)18(14-24-19)16-10-6-7-11-17(16)20/h2-11,13-14H,1,12H2/b21-19-,22-13?.
What are the key properties of 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine?
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 337.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23911393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).