5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole

C22H15BrClNO2S2 — CID 22911908

IUPAC5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(-c2ccccc2Cl)sc1-c1ccc(Br)cc1
InChIInChI=1S/C22H15BrClNO2S2/c1-29(26,27)19-9-5-3-7-17(19)20-21(14-10-12-15(23)13-11-14)28-22(25-20)16-6-2-4-8-18(16)24/h2-13H,1H3
InChIKeyBFGQSTQMCVYVFB-UHFFFAOYSA-N
MW504.86 g/mol
LogP6.96
Rot. Bonds4

About 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole

5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 22911908) has the molecular formula C22H15BrClNO2S2 and a molecular weight of 504.86 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
PubChem CID22911908
Molecular FormulaC22H15BrClNO2S2
Molecular Weight504.86 g/mol
Exact Mass502.94
IUPAC Name5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(-c2ccccc2Cl)sc1-c1ccc(Br)cc1
InChIInChI=1S/C22H15BrClNO2S2/c1-29(26,27)19-9-5-3-7-17(19)20-21(14-10-12-15(23)13-11-14)28-22(25-20)16-6-2-4-8-18(16)24/h2-13H,1H3
InChIKeyBFGQSTQMCVYVFB-UHFFFAOYSA-N
XLogP6.96
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.86
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911730
2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole
CID 22911779
4-[4-(4-bromophenyl)-2-(2-chlorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 22912344
2-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54110135
2-(2-chlorophenyl)-4-(4-methylsulfanylphenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54183581
4-(4-bromophenyl)-2-(2-chlorophenyl)-5-methyl-1,3-thiazole
CID 79839841
2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912319
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
4-(4-fluorophenyl)-2-(4-methoxyphenyl)-5-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22911850
(3-chlorophenyl)-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
CID 22911965
4-chloro-N-[5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22912237
5-(4-fluorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912167

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole (CID 22911908) is 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccccc1-c1nc(-c2ccccc2Cl)sc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is BFGQSTQMCVYVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClNO2S2/c1-29(26,27)19-9-5-3-7-17(19)20-21(14-10-12-15(23)13-11-14)28-22(25-20)16-6-2-4-8-18(16)24/h2-13H,1H3.
What are the key properties of 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole?
5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 504.86 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(2-chlorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 22911908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).