2,2,5-trimethyl-1,3-thiazolidine;hydrochloride

C6H14ClNS — CID 3056540

IUPAC2,2,5-trimethyl-1,3-thiazolidine;hydrochloride
SMILESCC1CNC(C)(C)S1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-5-4-7-6(2,3)8-5;/h5,7H,4H2,1-3H3;1H
InChIKeyZRVUXVZBEIHRHK-UHFFFAOYSA-N
MW167.70 g/mol
LogP1.87
Rot. Bonds

About 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride

2,2,5-trimethyl-1,3-thiazolidine;hydrochloride (PubChem CID 3056540) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name2,2,5-trimethyl-1,3-thiazolidine;hydrochloride
PubChem CID3056540
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC Name2,2,5-trimethyl-1,3-thiazolidine;hydrochloride
SMILESCC1CNC(C)(C)S1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-5-4-7-6(2,3)8-5;/h5,7H,4H2,1-3H3;1H
InChIKeyZRVUXVZBEIHRHK-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride?
The IUPAC name of 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride (CID 3056540) is 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride is CC1CNC(C)(C)S1.Cl.
What is the InChIKey of 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride?
The InChIKey is ZRVUXVZBEIHRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c1-5-4-7-6(2,3)8-5;/h5,7H,4H2,1-3H3;1H.
What are the key properties of 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride?
2,2,5-trimethyl-1,3-thiazolidine;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3056540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).