4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole

C28H19ClFNS — CID 46944717

IUPAC4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole
SMILESFc1ccc(-c2nc(C(c3ccccc3)c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C28H19ClFNS/c29-23-15-11-20(12-16-23)25(19-7-3-1-4-8-19)26-27(21-9-5-2-6-10-21)32-28(31-26)22-13-17-24(30)18-14-22/h1-18,25H
InChIKeyRCJPWOLFTWLOLP-UHFFFAOYSA-N
MW455.99 g/mol
LogP8.45
Rot. Bonds5

About 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole

4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole (PubChem CID 46944717) has the molecular formula C28H19ClFNS and a molecular weight of 455.99 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole
PubChem CID46944717
Molecular FormulaC28H19ClFNS
Molecular Weight455.99 g/mol
Exact Mass455.09
IUPAC Name4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole
SMILESFc1ccc(-c2nc(C(c3ccccc3)c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C28H19ClFNS/c29-23-15-11-20(12-16-23)25(19-7-3-1-4-8-19)26-27(21-9-5-2-6-10-21)32-28(31-26)22-13-17-24(30)18-14-22/h1-18,25H
InChIKeyRCJPWOLFTWLOLP-UHFFFAOYSA-N
XLogP8.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
CID 46944926
4-benzylsulfanyl-2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3-thiazole
CID 71671044
2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
CID 46947499
4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole
CID 46947498
1-benzhydryl-4-chlorobenzene
CID 13050205
2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 131954936
4-(4-fluorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 25008167
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
5-[6-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 18562794
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole?
The IUPAC name of 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole (CID 46944717) is 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole is Fc1ccc(-c2nc(C(c3ccccc3)c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole?
The InChIKey is RCJPWOLFTWLOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClFNS/c29-23-15-11-20(12-16-23)25(19-7-3-1-4-8-19)26-27(21-9-5-2-6-10-21)32-28(31-26)22-13-17-24(30)18-14-22/h1-18,25H.
What are the key properties of 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole?
4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole has a molecular weight of 455.99 g/mol, XLogP of 8.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole is sourced from PubChem (CID 46944717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).