3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine

C23H15Cl2F3N2S2 — CID 2467414

IUPAC3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\c3ccc(SC(F)F)cc3)n2Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H15Cl2F3N2S2/c24-16-4-1-15(20(25)11-16)12-30-21(14-2-5-17(26)6-3-14)13-31-23(30)29-18-7-9-19(10-8-18)32-22(27)28/h1-11,13,22H,12H2/b29-23-
InChIKeyXAAFRZFRBDGLDG-FAJYDZGRSA-N
MW511.42 g/mol
LogP8.26
Rot. Bonds6

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

3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 2467414) has the molecular formula C23H15Cl2F3N2S2 and a molecular weight of 511.42 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID2467414
Molecular FormulaC23H15Cl2F3N2S2
Molecular Weight511.42 g/mol
Exact Mass510.00
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESFc1ccc(-c2cs/c(=N\c3ccc(SC(F)F)cc3)n2Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H15Cl2F3N2S2/c24-16-4-1-15(20(25)11-16)12-30-21(14-2-5-17(26)6-3-14)13-31-23(30)29-18-7-9-19(10-8-18)32-22(27)28/h1-11,13,22H,12H2/b29-23-
InChIKeyXAAFRZFRBDGLDG-FAJYDZGRSA-N
XLogP8.26
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.42
LogP ≤ 58.26
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

2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136
3-benzyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 90484760
N,4-bis(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-imine;hydrobromide
CID 45125365
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23856464
4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine
CID 5182240
4-(4-fluorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 1283764
N,4-bis(4-fluorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 142106070
4-(4-chlorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125372
N-(4-ethoxyphenyl)-3-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 18812902
4-(3-chlorophenyl)-N-(4-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine
CID 23879773
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 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine (CID 2467414) is 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine is Fc1ccc(-c2cs/c(=N\c3ccc(SC(F)F)cc3)n2Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is XAAFRZFRBDGLDG-FAJYDZGRSA-N. The full InChI is InChI=1S/C23H15Cl2F3N2S2/c24-16-4-1-15(20(25)11-16)12-30-21(14-2-5-17(26)6-3-14)13-31-23(30)29-18-7-9-19(10-8-18)32-22(27)28/h1-11,13,22H,12H2/b29-23-.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine?
3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 511.42 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2467414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).