2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine

C10H10N4S2 — CID 82166922

IUPAC2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine
SMILESNCCc1nnc2scc(-c3cccs3)n12
InChIInChI=1S/C10H10N4S2/c11-4-3-9-12-13-10-14(9)7(6-16-10)8-2-1-5-15-8/h1-2,5-6H,3-4,11H2
InChIKeyNJKBEXRPYXBGQF-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.02
Rot. Bonds3

About 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine

2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine (PubChem CID 82166922) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine
PubChem CID82166922
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine
SMILESNCCc1nnc2scc(-c3cccs3)n12
InChIInChI=1S/C10H10N4S2/c11-4-3-9-12-13-10-14(9)7(6-16-10)8-2-1-5-15-8/h1-2,5-6H,3-4,11H2
InChIKeyNJKBEXRPYXBGQF-UHFFFAOYSA-N
XLogP2.02
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-tert-butyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062518
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
CID 82166818
(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine
CID 82291683
2-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethanamine
CID 82167237
2-(3-pyridin-3-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062562
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 86260022
2-(2-oxo-4-thiophen-2-yl-1,3-thiazol-3-yl)acetic acid
CID 16768259
6-pyridin-3-yl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068614
[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine
CID 82105489
[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196558

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine?
The IUPAC name of 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine (CID 82166922) is 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine is NCCc1nnc2scc(-c3cccs3)n12.
What is the InChIKey of 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine?
The InChIKey is NJKBEXRPYXBGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c11-4-3-9-12-13-10-14(9)7(6-16-10)8-2-1-5-15-8/h1-2,5-6H,3-4,11H2.
What are the key properties of 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine?
2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine has a molecular weight of 250.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine is sourced from PubChem (CID 82166922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).