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

C28H19BrClNS — CID 46944926

IUPAC2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
SMILESClc1ccc(C(c2ccccc2)c2nc(-c3ccc(Br)cc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C28H19BrClNS/c29-23-15-11-22(12-16-23)28-31-26(27(32-28)21-9-5-2-6-10-21)25(19-7-3-1-4-8-19)20-13-17-24(30)18-14-20/h1-18,25H
InChIKeyQYBOXMKQMPLURU-UHFFFAOYSA-N
MW516.89 g/mol
LogP9.07
Rot. Bonds5

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

2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole (PubChem CID 46944926) has the molecular formula C28H19BrClNS and a molecular weight of 516.89 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
PubChem CID46944926
Molecular FormulaC28H19BrClNS
Molecular Weight516.89 g/mol
Exact Mass515.01
IUPAC Name2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
SMILESClc1ccc(C(c2ccccc2)c2nc(-c3ccc(Br)cc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C28H19BrClNS/c29-23-15-11-22(12-16-23)28-31-26(27(32-28)21-9-5-2-6-10-21)25(19-7-3-1-4-8-19)20-13-17-24(30)18-14-20/h1-18,25H
InChIKeyQYBOXMKQMPLURU-UHFFFAOYSA-N
XLogP9.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.89
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)-phenylmethyl]-2-(4-fluorophenyl)-5-phenyl-1,3-thiazole
CID 46944717
4-[(4-bromophenyl)-phenylmethyl]-2-methyl-5-phenyl-1,3-thiazole
CID 46947498
2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
CID 46947499
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-benzhydryl-4-chlorobenzene
CID 13050205
1-[2-(4-bromophenyl)-5-phenyl-1,3-thiazol-4-yl]-N-methylmethanamine
CID 64716452
2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole
CID 156550838
4-benzylsulfanyl-2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3-thiazole
CID 71671044
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole?
The IUPAC name of 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole (CID 46944926) is 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole is Clc1ccc(C(c2ccccc2)c2nc(-c3ccc(Br)cc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole?
The InChIKey is QYBOXMKQMPLURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrClNS/c29-23-15-11-22(12-16-23)28-31-26(27(32-28)21-9-5-2-6-10-21)25(19-7-3-1-4-8-19)20-13-17-24(30)18-14-20/h1-18,25H.
What are the key properties of 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole?
2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole has a molecular weight of 516.89 g/mol, XLogP of 9.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[(4-chlorophenyl)-phenylmethyl]-5-phenyl-1,3-thiazole is sourced from PubChem (CID 46944926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).