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

C20H20N2O3S2 — CID 122330537

IUPAC2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole
SMILESCc1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-14-3-5-17(6-4-14)20-22(11-12-26-20)27(23,24)18-9-7-16(8-10-18)19-13-25-15(2)21-19/h3-10,13,20H,11-12H2,1-2H3
InChIKeyQUZVQRDBJOJRJQ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.39
Rot. Bonds4

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

2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole (PubChem CID 122330537) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole
PubChem CID122330537
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole
SMILESCc1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-14-3-5-17(6-4-14)20-22(11-12-26-20)27(23,24)18-9-7-16(8-10-18)19-13-25-15(2)21-19/h3-10,13,20H,11-12H2,1-2H3
InChIKeyQUZVQRDBJOJRJQ-UHFFFAOYSA-N
XLogP4.39
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole
CID 122330205
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
CID 56791969
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084396
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111374
4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
CID 1373902
(2S)-2-methyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 852148
3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3309477
(2S)-3-(4-iodophenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 40837132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole (CID 122330537) is 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole is Cc1ccc(C2SCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1.
What is the InChIKey of 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole?
The InChIKey is QUZVQRDBJOJRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-14-3-5-17(6-4-14)20-22(11-12-26-20)27(23,24)18-9-7-16(8-10-18)19-13-25-15(2)21-19/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole?
2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole has a molecular weight of 400.53 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 122330537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).