3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine

C13H27NS — CID 59150834

IUPAC3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine
SMILESCC(C)(C)C1N(C(C)(C)C)CSC1(C)C
InChIInChI=1S/C13H27NS/c1-11(2,3)10-13(7,8)15-9-14(10)12(4,5)6/h10H,9H2,1-8H3
InChIKeyKJUJZYBBVPLSES-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.98
Rot. Bonds

About 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine

3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine (PubChem CID 59150834) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine
PubChem CID59150834
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine
SMILESCC(C)(C)C1N(C(C)(C)C)CSC1(C)C
InChIInChI=1S/C13H27NS/c1-11(2,3)10-13(7,8)15-9-14(10)12(4,5)6/h10H,9H2,1-8H3
InChIKeyKJUJZYBBVPLSES-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5-Tetratert-butyl-1,3-thiazolidine
CID 57666172
3-Tert-butyl-4-propan-2-yl-1,3-thiazolidine
CID 58403895
3,4-Ditert-butyl-1,3-thiazolidine
CID 59422154
3-Tert-butyl-4-ethyl-1,3-thiazolidine
CID 68100615
4-Tert-butyl-3-ethyl-1,3-thiazolidine
CID 68197530
3,4-Ditert-butyl-2,2-dimethyl-1,3-thiazolidine
CID 70865829
3-Tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine
CID 70876679
4-Tert-butyl-3-ethyl-2,2-dimethyl-1,3-thiazolidine
CID 70876779
4-Tert-butyl-3-ethyl-5,5-dimethyl-1,3-thiazolidine
CID 70876780
3-Tert-butyl-4,5,5-trimethyl-1,3-thiazolidine
CID 89049358
3,4-Diethyl-5,5-dimethyl-1,3-thiazolidine
CID 89054723
4-Tert-butyl-3-methyl-1,3-thiazolidine
CID 90181176

Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine?
The IUPAC name of 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine (CID 59150834) is 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine?
The canonical SMILES for 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine is CC(C)(C)C1N(C(C)(C)C)CSC1(C)C.
What is the InChIKey of 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine?
The InChIKey is KJUJZYBBVPLSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-11(2,3)10-13(7,8)15-9-14(10)12(4,5)6/h10H,9H2,1-8H3.
What are the key properties of 3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine?
3,4-ditert-butyl-5,5-dimethyl-1,3-thiazolidine has a molecular weight of 229.43 g/mol, XLogP of 3.98, 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-5,5-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 59150834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).