(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine

C9H8N4S2 — CID 82291683

IUPAC(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine
SMILESNCc1nc2scc(-c3cccs3)n2n1
InChIInChI=1S/C9H8N4S2/c10-4-8-11-9-13(12-8)6(5-15-9)7-2-1-3-14-7/h1-3,5H,4,10H2
InChIKeyUEZWYKLPUSXRRL-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.98
Rot. Bonds2

About (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine

(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine (PubChem CID 82291683) has the molecular formula C9H8N4S2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine
PubChem CID82291683
Molecular FormulaC9H8N4S2
Molecular Weight236.33 g/mol
Exact Mass236.02
IUPAC Name(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine
SMILESNCc1nc2scc(-c3cccs3)n2n1
InChIInChI=1S/C9H8N4S2/c10-4-8-11-9-13(12-8)6(5-15-9)7-2-1-3-14-7/h1-3,5H,4,10H2
InChIKeyUEZWYKLPUSXRRL-UHFFFAOYSA-N
XLogP1.98
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82476476
2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine
CID 82166922
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
CID 82478597
2-(6-tert-butyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062518
[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196558
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
2-(2-oxo-4-thiophen-2-yl-1,3-thiazol-3-yl)acetic acid
CID 16768259
[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981
(2-methyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-6-yl)methanamine
CID 82062044
[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072979
(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine
CID 90009339

Frequently Asked Questions

What is the IUPAC name of (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine?
The IUPAC name of (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine (CID 82291683) is (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine.
What is the SMILES notation for (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine?
The canonical SMILES for (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine is NCc1nc2scc(-c3cccs3)n2n1.
What is the InChIKey of (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine?
The InChIKey is UEZWYKLPUSXRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S2/c10-4-8-11-9-13(12-8)6(5-15-9)7-2-1-3-14-7/h1-3,5H,4,10H2.
What are the key properties of (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine?
(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine has a molecular weight of 236.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanamine is sourced from PubChem (CID 82291683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).