2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine

C8H10N4S — CID 65362542

IUPAC2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESNC(Cc1ccsc1)c1ncn[nH]1
InChIInChI=1S/C8H10N4S/c9-7(8-10-5-11-12-8)3-6-1-2-13-4-6/h1-2,4-5,7H,3,9H2,(H,10,11,12)
InChIKeyAUQWPUBDXBYRSM-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.11
Rot. Bonds3

About 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 65362542) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID65362542
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESNC(Cc1ccsc1)c1ncn[nH]1
InChIInChI=1S/C8H10N4S/c9-7(8-10-5-11-12-8)3-6-1-2-13-4-6/h1-2,4-5,7H,3,9H2,(H,10,11,12)
InChIKeyAUQWPUBDXBYRSM-UHFFFAOYSA-N
XLogP1.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 65363413
5-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 142174785
1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethanamine
CID 105178685
1-quinoxalin-2-yl-2-thiophen-3-ylethanamine
CID 107357052
1-(6-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 63553811
2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362662
2-(4-chloro-2-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114855881
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
1-thieno[3,2-b]pyridin-6-yl-2-thiophen-3-ylethanamine
CID 81144141
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine
CID 103373901
1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137431

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 65362542) is 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine is NC(Cc1ccsc1)c1ncn[nH]1.
What is the InChIKey of 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is AUQWPUBDXBYRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c9-7(8-10-5-11-12-8)3-6-1-2-13-4-6/h1-2,4-5,7H,3,9H2,(H,10,11,12).
What are the key properties of 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 194.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 65362542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).