2-(1,3-thiazol-5-yl)ethanamine

C5H8N2S — CID 28948322

IUPAC2-(1,3-thiazol-5-yl)ethanamine
SMILESNCCc1cncs1
InChIInChI=1S/C5H8N2S/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2
InChIKeyVKMXHCGSFOBPGQ-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.64
Rot. Bonds2

About 2-(1,3-thiazol-5-yl)ethanamine

2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 28948322) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)ethanamine
PubChem CID28948322
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name2-(1,3-thiazol-5-yl)ethanamine
SMILESNCCc1cncs1
InChIInChI=1S/C5H8N2S/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2
InChIKeyVKMXHCGSFOBPGQ-UHFFFAOYSA-N
XLogP0.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(1,3-thiazol-5-yl)ethanamine (CID 28948322) is 2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(1,3-thiazol-5-yl)ethanamine is NCCc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is VKMXHCGSFOBPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2.
What are the key properties of 2-(1,3-thiazol-5-yl)ethanamine?
2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 128.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 28948322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).