2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide

C11H18N2O3S — CID 71857462

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)c1cnc(CN2CCCS2(=O)=O)o1
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)9-7-12-10(16-9)8-13-5-4-6-17(13,14)15/h7H,4-6,8H2,1-3H3
InChIKeyWXGSCICOKXIXAZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.51
Rot. Bonds2

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 71857462) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID71857462
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)c1cnc(CN2CCCS2(=O)=O)o1
InChIInChI=1S/C11H18N2O3S/c1-11(2,3)9-7-12-10(16-9)8-13-5-4-6-17(13,14)15/h7H,4-6,8H2,1-3H3
InChIKeyWXGSCICOKXIXAZ-UHFFFAOYSA-N
XLogP1.51
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide (CID 71857462) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide is CC(C)(C)c1cnc(CN2CCCS2(=O)=O)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WXGSCICOKXIXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-11(2,3)9-7-12-10(16-9)8-13-5-4-6-17(13,14)15/h7H,4-6,8H2,1-3H3.
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 258.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 71857462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).