3-ethyl-2,2-dimethyl-1,3-thiazolidine

C7H15NS — CID 12927018

IUPAC3-ethyl-2,2-dimethyl-1,3-thiazolidine
SMILESCCN1CCSC1(C)C
InChIInChI=1S/C7H15NS/c1-4-8-5-6-9-7(8,2)3/h4-6H2,1-3H3
InChIKeyWLTVQVVOAPRUGV-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.79
Rot. Bonds1

About 3-ethyl-2,2-dimethyl-1,3-thiazolidine

3-ethyl-2,2-dimethyl-1,3-thiazolidine (PubChem CID 12927018) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-ethyl-2,2-dimethyl-1,3-thiazolidine
PubChem CID12927018
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-ethyl-2,2-dimethyl-1,3-thiazolidine
SMILESCCN1CCSC1(C)C
InChIInChI=1S/C7H15NS/c1-4-8-5-6-9-7(8,2)3/h4-6H2,1-3H3
InChIKeyWLTVQVVOAPRUGV-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-dimethyl-1,3-thiazolidine?
The IUPAC name of 3-ethyl-2,2-dimethyl-1,3-thiazolidine (CID 12927018) is 3-ethyl-2,2-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 3-ethyl-2,2-dimethyl-1,3-thiazolidine?
The canonical SMILES for 3-ethyl-2,2-dimethyl-1,3-thiazolidine is CCN1CCSC1(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethyl-1,3-thiazolidine?
The InChIKey is WLTVQVVOAPRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-8-5-6-9-7(8,2)3/h4-6H2,1-3H3.
What are the key properties of 3-ethyl-2,2-dimethyl-1,3-thiazolidine?
3-ethyl-2,2-dimethyl-1,3-thiazolidine has a molecular weight of 145.27 g/mol, XLogP of 1.79, 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-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 12927018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).