4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole

C20H19BrN2O4S2 — CID 122330205

IUPAC4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole
SMILESCOc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C20H19BrN2O4S2/c1-13-22-18(12-27-13)14-3-6-16(7-4-14)29(24,25)23-9-10-28-20(23)17-11-15(21)5-8-19(17)26-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyJURBXYHHNYITNL-UHFFFAOYSA-N
MW495.42 g/mol
LogP4.86
Rot. Bonds5

About 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole

4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole (PubChem CID 122330205) has the molecular formula C20H19BrN2O4S2 and a molecular weight of 495.42 g/mol. Its IUPAC name is 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole
PubChem CID122330205
Molecular FormulaC20H19BrN2O4S2
Molecular Weight495.42 g/mol
Exact Mass494.00
IUPAC Name4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole
SMILESCOc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(-c2coc(C)n2)cc1
InChIInChI=1S/C20H19BrN2O4S2/c1-13-22-18(12-27-13)14-3-6-16(7-4-14)29(24,25)23-9-10-28-20(23)17-11-15(21)5-8-19(17)26-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyJURBXYHHNYITNL-UHFFFAOYSA-N
XLogP4.86
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole with MolForge

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 3123287
(2R)-2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 1111423
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
CID 7013332
2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole
CID 122330537
2-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 2859017
(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1279279
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
2-(5-bromo-2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
CID 4912988
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111374

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole (CID 122330205) is 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole is COc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(-c2coc(C)n2)cc1.
What is the InChIKey of 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole?
The InChIKey is JURBXYHHNYITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4S2/c1-13-22-18(12-27-13)14-3-6-16(7-4-14)29(24,25)23-9-10-28-20(23)17-11-15(21)5-8-19(17)26-2/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole?
4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole has a molecular weight of 495.42 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 122330205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).