1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

C10H14N4S — CID 106281938

IUPAC1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)c1cccs1)c1ncn[nH]1
InChIInChI=1S/C10H14N4S/c1-7(9-4-3-5-15-9)13-8(2)10-11-6-12-14-10/h3-8,13H,1-2H3,(H,11,12,14)
InChIKeyGYBGVYCWGDLGLW-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.28
Rot. Bonds4

About 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (PubChem CID 106281938) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
PubChem CID106281938
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NC(C)c1cccs1)c1ncn[nH]1
InChIInChI=1S/C10H14N4S/c1-7(9-4-3-5-15-9)13-8(2)10-11-6-12-14-10/h3-8,13H,1-2H3,(H,11,12,14)
InChIKeyGYBGVYCWGDLGLW-UHFFFAOYSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716446
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
N-[(1S)-1-thiophen-2-ylethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 40701155
1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282077
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
CID 106281815
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281911
1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167967
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol
CID 106281667
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (CID 106281938) is 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is CC(NC(C)c1cccs1)c1ncn[nH]1.
What is the InChIKey of 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The InChIKey is GYBGVYCWGDLGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7(9-4-3-5-15-9)13-8(2)10-11-6-12-14-10/h3-8,13H,1-2H3,(H,11,12,14).
What are the key properties of 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine has a molecular weight of 222.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106281938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).