3-ethyl-2,2,5-trimethyl-1,3-thiazolidine

C8H17NS — CID 12654790

IUPAC3-ethyl-2,2,5-trimethyl-1,3-thiazolidine
SMILESCCN1CC(C)SC1(C)C
InChIInChI=1S/C8H17NS/c1-5-9-6-7(2)10-8(9,3)4/h7H,5-6H2,1-4H3
InChIKeyIULLCMGYHOYHEL-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.18
Rot. Bonds1

About 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine

3-ethyl-2,2,5-trimethyl-1,3-thiazolidine (PubChem CID 12654790) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-ethyl-2,2,5-trimethyl-1,3-thiazolidine
PubChem CID12654790
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-ethyl-2,2,5-trimethyl-1,3-thiazolidine
SMILESCCN1CC(C)SC1(C)C
InChIInChI=1S/C8H17NS/c1-5-9-6-7(2)10-8(9,3)4/h7H,5-6H2,1-4H3
InChIKeyIULLCMGYHOYHEL-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazolidine, 3-(3-(butylthio)propyl)-, hydrochloride
CID 3038842
2,3,5-Trimethyl-1,3-thiazolidine
CID 90934568
3-Fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
CID 139342132
InChI=1/C7H15NS/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H
CID 5325806
3-(3-Butylsulfanylpropyl)-1,3-thiazolidine
CID 3038843
3-(3-Hexylsulfanylpropyl)-1,3-thiazolidine
CID 3038845
3-Butyl-2-ethyl-1,3-thiazolidine
CID 13356757
3-Butyl-2-propyl-1,3-thiazolidine
CID 13356758
5,5-Dimethyl-3-(2-methylpropyl)-2-propan-2-yl-1,3-thiazolidine
CID 9877794
5,5-Dimethyl-3-(2-methylpropyl)-1,3-thiazolidine
CID 9898960
3-Ethyl-2,2-dimethyl-1,3-thiazolidine
CID 12927018
2,2,3-Trimethyl-1,3-thiazolidine
CID 13028507

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine?
The IUPAC name of 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine (CID 12654790) is 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine.
What is the SMILES notation for 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine?
The canonical SMILES for 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine is CCN1CC(C)SC1(C)C.
What is the InChIKey of 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine?
The InChIKey is IULLCMGYHOYHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-9-6-7(2)10-8(9,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine?
3-ethyl-2,2,5-trimethyl-1,3-thiazolidine has a molecular weight of 159.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,5-trimethyl-1,3-thiazolidine is sourced from PubChem (CID 12654790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).