(2S,4S)-2,4-dimethyl-1,3-thiazolidine

C5H11NS — CID 55287644

IUPAC(2S,4S)-2,4-dimethyl-1,3-thiazolidine
SMILESC[C@H]1CS[C@@H](C)N1
InChIInChI=1S/C5H11NS/c1-4-3-7-5(2)6-4/h4-6H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyFGBOEOZFZKNQAX-WHFBIAKZSA-N
MW117.22 g/mol
LogP1.06
Rot. Bonds

About (2S,4S)-2,4-dimethyl-1,3-thiazolidine

(2S,4S)-2,4-dimethyl-1,3-thiazolidine (PubChem CID 55287644) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is (2S,4S)-2,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2S,4S)-2,4-dimethyl-1,3-thiazolidine
PubChem CID55287644
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name(2S,4S)-2,4-dimethyl-1,3-thiazolidine
SMILESC[C@H]1CS[C@@H](C)N1
InChIInChI=1S/C5H11NS/c1-4-3-7-5(2)6-4/h4-6H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyFGBOEOZFZKNQAX-WHFBIAKZSA-N
XLogP1.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4-dimethyl-1,3-thiazolidine?
The IUPAC name of (2S,4S)-2,4-dimethyl-1,3-thiazolidine (CID 55287644) is (2S,4S)-2,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for (2S,4S)-2,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for (2S,4S)-2,4-dimethyl-1,3-thiazolidine is C[C@H]1CS[C@@H](C)N1.
What is the InChIKey of (2S,4S)-2,4-dimethyl-1,3-thiazolidine?
The InChIKey is FGBOEOZFZKNQAX-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H11NS/c1-4-3-7-5(2)6-4/h4-6H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-2,4-dimethyl-1,3-thiazolidine?
(2S,4S)-2,4-dimethyl-1,3-thiazolidine has a molecular weight of 117.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 55287644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).