4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole

C12H11ClN2O3S2 — CID 122329632

IUPAC4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
SMILESO=S(=O)(c1cnoc1)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S2/c13-10-3-1-9(2-4-10)12-15(5-6-19-12)20(16,17)11-7-14-18-8-11/h1-4,7-8,12H,5-6H2
InChIKeyLYRKRSPHOGTNSP-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.76
Rot. Bonds3

About 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole

4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole (PubChem CID 122329632) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
PubChem CID122329632
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Name4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
SMILESO=S(=O)(c1cnoc1)N1CCSC1c1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S2/c13-10-3-1-9(2-4-10)12-15(5-6-19-12)20(16,17)11-7-14-18-8-11/h1-4,7-8,12H,5-6H2
InChIKeyLYRKRSPHOGTNSP-UHFFFAOYSA-N
XLogP2.76
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole?
The IUPAC name of 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole (CID 122329632) is 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole is O=S(=O)(c1cnoc1)N1CCSC1c1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole?
The InChIKey is LYRKRSPHOGTNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c13-10-3-1-9(2-4-10)12-15(5-6-19-12)20(16,17)11-7-14-18-8-11/h1-4,7-8,12H,5-6H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole?
4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole has a molecular weight of 330.82 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole is sourced from PubChem (CID 122329632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).