2,4-ditert-butyl-1,3-thiazolidine

C11H23NS — CID 118444713

IUPAC2,4-ditert-butyl-1,3-thiazolidine
SMILESCC(C)(C)C1CSC(C(C)(C)C)N1
InChIInChI=1S/C11H23NS/c1-10(2,3)8-7-13-9(12-8)11(4,5)6/h8-9,12H,7H2,1-6H3
InChIKeyRSXGZWDCPBEGCB-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.11
Rot. Bonds

About 2,4-ditert-butyl-1,3-thiazolidine

2,4-ditert-butyl-1,3-thiazolidine (PubChem CID 118444713) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2,4-ditert-butyl-1,3-thiazolidine.

Molecular Properties

Compound Name2,4-ditert-butyl-1,3-thiazolidine
PubChem CID118444713
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2,4-ditert-butyl-1,3-thiazolidine
SMILESCC(C)(C)C1CSC(C(C)(C)C)N1
InChIInChI=1S/C11H23NS/c1-10(2,3)8-7-13-9(12-8)11(4,5)6/h8-9,12H,7H2,1-6H3
InChIKeyRSXGZWDCPBEGCB-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1,3-thiazolidine?
The IUPAC name of 2,4-ditert-butyl-1,3-thiazolidine (CID 118444713) is 2,4-ditert-butyl-1,3-thiazolidine.
What is the SMILES notation for 2,4-ditert-butyl-1,3-thiazolidine?
The canonical SMILES for 2,4-ditert-butyl-1,3-thiazolidine is CC(C)(C)C1CSC(C(C)(C)C)N1.
What is the InChIKey of 2,4-ditert-butyl-1,3-thiazolidine?
The InChIKey is RSXGZWDCPBEGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2,3)8-7-13-9(12-8)11(4,5)6/h8-9,12H,7H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-1,3-thiazolidine?
2,4-ditert-butyl-1,3-thiazolidine has a molecular weight of 201.38 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1,3-thiazolidine is sourced from PubChem (CID 118444713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).