3,4-ditert-butyl-1,3-thiazolidine

C11H23NS — CID 59422154

IUPAC3,4-ditert-butyl-1,3-thiazolidine
SMILESCC(C)(C)C1CSCN1C(C)(C)C
InChIInChI=1S/C11H23NS/c1-10(2,3)9-7-13-8-12(9)11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyCKKBUKYYBAPPKU-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.21
Rot. Bonds

About 3,4-ditert-butyl-1,3-thiazolidine

3,4-ditert-butyl-1,3-thiazolidine (PubChem CID 59422154) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3,4-ditert-butyl-1,3-thiazolidine.

Molecular Properties

Compound Name3,4-ditert-butyl-1,3-thiazolidine
PubChem CID59422154
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3,4-ditert-butyl-1,3-thiazolidine
SMILESCC(C)(C)C1CSCN1C(C)(C)C
InChIInChI=1S/C11H23NS/c1-10(2,3)9-7-13-8-12(9)11(4,5)6/h9H,7-8H2,1-6H3
InChIKeyCKKBUKYYBAPPKU-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-1,3-thiazolidine?
The IUPAC name of 3,4-ditert-butyl-1,3-thiazolidine (CID 59422154) is 3,4-ditert-butyl-1,3-thiazolidine.
What is the SMILES notation for 3,4-ditert-butyl-1,3-thiazolidine?
The canonical SMILES for 3,4-ditert-butyl-1,3-thiazolidine is CC(C)(C)C1CSCN1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-1,3-thiazolidine?
The InChIKey is CKKBUKYYBAPPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2,3)9-7-13-8-12(9)11(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 3,4-ditert-butyl-1,3-thiazolidine?
3,4-ditert-butyl-1,3-thiazolidine has a molecular weight of 201.38 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1,3-thiazolidine is sourced from PubChem (CID 59422154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).