4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine

C7H15NS2 — CID 66217430

IUPAC4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine
SMILESCSCCC1NC(C)CS1
InChIInChI=1S/C7H15NS2/c1-6-5-10-7(8-6)3-4-9-2/h6-8H,3-5H2,1-2H3
InChIKeyZMKBKNVHTQRKEN-UHFFFAOYSA-N
MW177.34 g/mol
LogP1.79
Rot. Bonds3

About 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine

4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine (PubChem CID 66217430) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine
PubChem CID66217430
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine
SMILESCSCCC1NC(C)CS1
InChIInChI=1S/C7H15NS2/c1-6-5-10-7(8-6)3-4-9-2/h6-8H,3-5H2,1-2H3
InChIKeyZMKBKNVHTQRKEN-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine?
The IUPAC name of 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine (CID 66217430) is 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine.
What is the SMILES notation for 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine?
The canonical SMILES for 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine is CSCCC1NC(C)CS1.
What is the InChIKey of 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine?
The InChIKey is ZMKBKNVHTQRKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-6-5-10-7(8-6)3-4-9-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine?
4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine has a molecular weight of 177.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylsulfanylethyl)-1,3-thiazolidine is sourced from PubChem (CID 66217430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).