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

C20H15FN2OS — CID 1283764

IUPAC4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1
InChIInChI=1S/C20H15FN2OS/c21-16-10-8-15(9-11-16)19-14-25-20(22-17-5-2-1-3-6-17)23(19)13-18-7-4-12-24-18/h1-12,14H,13H2/b22-20-
InChIKeyZFJOWAPNGGBRJA-XDOYNYLZSA-N
MW350.42 g/mol
LogP5.23
Rot. Bonds4

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

4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 1283764) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID1283764
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1
InChIInChI=1S/C20H15FN2OS/c21-16-10-8-15(9-11-16)19-14-25-20(22-17-5-2-1-3-6-17)23(19)13-18-7-4-12-24-18/h1-12,14H,13H2/b22-20-
InChIKeyZFJOWAPNGGBRJA-XDOYNYLZSA-N
XLogP5.23
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23856464
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 3650518
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340
3-benzyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 90484760
2-[3-[2-(4-fluorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione
CID 4281240
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
4-(2-bromophenyl)-N-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23876407
N-(4-chloro-3-fluorophenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23857350
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23737132
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18812872
4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-1H-imidazole-2-thione
CID 18523973
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine (CID 1283764) is 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine is Fc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is ZFJOWAPNGGBRJA-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H15FN2OS/c21-16-10-8-15(9-11-16)19-14-25-20(22-17-5-2-1-3-6-17)23(19)13-18-7-4-12-24-18/h1-12,14H,13H2/b22-20-.
What are the key properties of 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 350.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 1283764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).