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

C22H15Cl2FN2S — CID 2322788

IUPAC4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccccc3Cl)n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15Cl2FN2S/c23-16-7-5-15(6-8-16)13-27-21(19-3-1-2-4-20(19)24)14-28-22(27)26-18-11-9-17(25)10-12-18/h1-12,14H,13H2/b26-22-
InChIKeyAKBZGNFXWUWXDH-ROMGYVFFSA-N
MW429.35 g/mol
LogP6.94
Rot. Bonds4

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

4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine (PubChem CID 2322788) has the molecular formula C22H15Cl2FN2S and a molecular weight of 429.35 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine
PubChem CID2322788
Molecular FormulaC22H15Cl2FN2S
Molecular Weight429.35 g/mol
Exact Mass428.03
IUPAC Name4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine
SMILESFc1ccc(/N=c2\scc(-c3ccccc3Cl)n2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15Cl2FN2S/c23-16-7-5-15(6-8-16)13-27-21(19-3-1-2-4-20(19)24)14-28-22(27)26-18-11-9-17(25)10-12-18/h1-12,14H,13H2/b26-22-
InChIKeyAKBZGNFXWUWXDH-ROMGYVFFSA-N
XLogP6.94
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-4-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 90484760
4-(2-chlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138393007
N-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide
CID 45135464
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136
N-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-2-imine
CID 18813249
4-(2,4-dichlorophenyl)-N-phenyl-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138393008
3-[(4-chlorophenyl)methyl]-4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 3970174
3-[(2,4-dichlorophenyl)methyl]-N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-fluorophenyl)-1,3-thiazol-2-imine
CID 2467414
3-benzyl-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine;hydrobromide
CID 56726121
4-(4-bromophenyl)-3-[(4-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine;hydrobromide
CID 90484915
4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine
CID 5182240
4-(2-bromophenyl)-N-(4-fluorophenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23769515

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine (CID 2322788) is 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine is Fc1ccc(/N=c2\scc(-c3ccccc3Cl)n2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine?
The InChIKey is AKBZGNFXWUWXDH-ROMGYVFFSA-N. The full InChI is InChI=1S/C22H15Cl2FN2S/c23-16-7-5-15(6-8-16)13-27-21(19-3-1-2-4-20(19)24)14-28-22(27)26-18-11-9-17(25)10-12-18/h1-12,14H,13H2/b26-22-.
What are the key properties of 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine?
4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine has a molecular weight of 429.35 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 2322788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).