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

C19H18FN3S — CID 2383841

IUPAC3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
SMILESCCc1ccc(C=Nn2c(-c3ccc(F)cc3)cs/c2=N\C)cc1
InChIInChI=1S/C19H18FN3S/c1-3-14-4-6-15(7-5-14)12-22-23-18(13-24-19(23)21-2)16-8-10-17(20)11-9-16/h4-13H,3H2,1-2H3/b21-19-,22-12?
InChIKeyGOSOCIHMGVVFIF-UCTLZQNBSA-N
MW339.44 g/mol
LogP4.33
Rot. Bonds4

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

3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine (PubChem CID 2383841) has the molecular formula C19H18FN3S and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
PubChem CID2383841
Molecular FormulaC19H18FN3S
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC Name3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
SMILESCCc1ccc(C=Nn2c(-c3ccc(F)cc3)cs/c2=N\C)cc1
InChIInChI=1S/C19H18FN3S/c1-3-14-4-6-15(7-5-14)12-22-23-18(13-24-19(23)21-2)16-8-10-17(20)11-9-16/h4-13H,3H2,1-2H3/b21-19-,22-12?
InChIKeyGOSOCIHMGVVFIF-UCTLZQNBSA-N
XLogP4.33
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.33
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 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine (CID 2383841) is 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine is CCc1ccc(C=Nn2c(-c3ccc(F)cc3)cs/c2=N\C)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
The InChIKey is GOSOCIHMGVVFIF-UCTLZQNBSA-N. The full InChI is InChI=1S/C19H18FN3S/c1-3-14-4-6-15(7-5-14)12-22-23-18(13-24-19(23)21-2)16-8-10-17(20)11-9-16/h4-13H,3H2,1-2H3/b21-19-,22-12?.
What are the key properties of 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine?
3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine has a molecular weight of 339.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2383841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).