2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine

C8H11N5S — CID 82568205

IUPAC2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1n[nH]c(Cc2nccs2)n1
InChIInChI=1S/C8H11N5S/c9-2-1-6-11-7(13-12-6)5-8-10-3-4-14-8/h3-4H,1-2,5,9H2,(H,11,12,13)
InChIKeyIYGBASWLWBXERW-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.35
Rot. Bonds4

About 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine

2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82568205) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
PubChem CID82568205
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1n[nH]c(Cc2nccs2)n1
InChIInChI=1S/C8H11N5S/c9-2-1-6-11-7(13-12-6)5-8-10-3-4-14-8/h3-4H,1-2,5,9H2,(H,11,12,13)
InChIKeyIYGBASWLWBXERW-UHFFFAOYSA-N
XLogP0.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine (CID 82568205) is 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine is NCCc1n[nH]c(Cc2nccs2)n1.
What is the InChIKey of 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is IYGBASWLWBXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c9-2-1-6-11-7(13-12-6)5-8-10-3-4-14-8/h3-4H,1-2,5,9H2,(H,11,12,13).
What are the key properties of 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine?
2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 209.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-thiazol-2-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82568205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).