3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine

C10H21NS — CID 89049358

IUPAC3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine
SMILESCC1N(C(C)(C)C)CSC1(C)C
InChIInChI=1S/C10H21NS/c1-8-10(5,6)12-7-11(8)9(2,3)4/h8H,7H2,1-6H3
InChIKeyXPXGETQKKIIUJU-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.96
Rot. Bonds

About 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine

3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine (PubChem CID 89049358) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine
PubChem CID89049358
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine
SMILESCC1N(C(C)(C)C)CSC1(C)C
InChIInChI=1S/C10H21NS/c1-8-10(5,6)12-7-11(8)9(2,3)4/h8H,7H2,1-6H3
InChIKeyXPXGETQKKIIUJU-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5,5-Tetramethylthiazolidine
CID 22977714
3-Butan-2-yl-1,1-difluoro-4-propan-2-yl-1,3-thiazolidine
CID 169665405
3-Butan-2-yl-5,5-dimethyl-1,3-thiazolidine
CID 18185947
3-Butan-2-yl-5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 18185948
3-Ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione
CID 21324795
2,3-Ditert-butyl-1,3-thiazolidine
CID 57819714
3-Tert-butyl-4-propan-2-yl-1,3-thiazolidine
CID 58403895
3,4-Di(propan-2-yl)-1,3-thiazolidine
CID 58778672
2,2-Dimethyl-3,4-di(propan-2-yl)-1,3-thiazolidine
CID 58778832
3,4-Ditert-butyl-5,5-dimethyl-1,3-thiazolidine
CID 59150834
(4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione
CID 59223156
3,4-Ditert-butyl-1,3-thiazolidine
CID 59422154

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine?
The IUPAC name of 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine (CID 89049358) is 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine.
What is the SMILES notation for 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine?
The canonical SMILES for 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine is CC1N(C(C)(C)C)CSC1(C)C.
What is the InChIKey of 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine?
The InChIKey is XPXGETQKKIIUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8-10(5,6)12-7-11(8)9(2,3)4/h8H,7H2,1-6H3.
What are the key properties of 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine?
3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine has a molecular weight of 187.35 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,5,5-trimethyl-1,3-thiazolidine is sourced from PubChem (CID 89049358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).