5-methyl-2-(2-phenylethyl)-1,3-thiazolidine

C12H17NS — CID 3087751

IUPAC5-methyl-2-(2-phenylethyl)-1,3-thiazolidine
SMILESCC1CNC(CCc2ccccc2)S1
InChIInChI=1S/C12H17NS/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyZLUYNMJGDRENNM-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.67
Rot. Bonds3

About 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine

5-methyl-2-(2-phenylethyl)-1,3-thiazolidine (PubChem CID 3087751) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-(2-phenylethyl)-1,3-thiazolidine
PubChem CID3087751
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name5-methyl-2-(2-phenylethyl)-1,3-thiazolidine
SMILESCC1CNC(CCc2ccccc2)S1
InChIInChI=1S/C12H17NS/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChIKeyZLUYNMJGDRENNM-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine (CID 3087751) is 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine is CC1CNC(CCc2ccccc2)S1.
What is the InChIKey of 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine?
The InChIKey is ZLUYNMJGDRENNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3.
What are the key properties of 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine?
5-methyl-2-(2-phenylethyl)-1,3-thiazolidine has a molecular weight of 207.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenylethyl)-1,3-thiazolidine is sourced from PubChem (CID 3087751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).