2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine

C11H16N2S — CID 71179455

IUPAC2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine
SMILESNCCN1CCSC1c1ccccc1
InChIInChI=1S/C11H16N2S/c12-6-7-13-8-9-14-11(13)10-4-2-1-3-5-10/h1-5,11H,6-9,12H2
InChIKeyIWLMJULEWNHUOQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.69
Rot. Bonds3

About 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine

2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine (PubChem CID 71179455) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine
PubChem CID71179455
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine
SMILESNCCN1CCSC1c1ccccc1
InChIInChI=1S/C11H16N2S/c12-6-7-13-8-9-14-11(13)10-4-2-1-3-5-10/h1-5,11H,6-9,12H2
InChIKeyIWLMJULEWNHUOQ-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine?
The IUPAC name of 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine (CID 71179455) is 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine?
The canonical SMILES for 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine is NCCN1CCSC1c1ccccc1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine?
The InChIKey is IWLMJULEWNHUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-6-7-13-8-9-14-11(13)10-4-2-1-3-5-10/h1-5,11H,6-9,12H2.
What are the key properties of 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine?
2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine has a molecular weight of 208.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazolidin-3-yl)ethanamine is sourced from PubChem (CID 71179455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).