[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine

C12H13N5OS2 — CID 114354995

IUPAC[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C12H13N5OS2/c13-9(8-2-1-5-19-8)11-16-17-10(7-3-4-18-6-7)14-15-12(17)20-11/h1-2,5,7,9H,3-4,6,13H2
InChIKeyUJLNAVCBEBMUEQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.80
Rot. Bonds3

About [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine

[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine (PubChem CID 114354995) has the molecular formula C12H13N5OS2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine
PubChem CID114354995
Molecular FormulaC12H13N5OS2
Molecular Weight307.40 g/mol
Exact Mass307.06
IUPAC Name[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine
SMILESNC(c1cccs1)c1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C12H13N5OS2/c13-9(8-2-1-5-19-8)11-16-17-10(7-3-4-18-6-7)14-15-12(17)20-11/h1-2,5,7,9H,3-4,6,13H2
InChIKeyUJLNAVCBEBMUEQ-UHFFFAOYSA-N
XLogP1.80
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354933
1-[4-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-yl]ethanamine
CID 114354991
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
CID 114354921
(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenylmethanamine
CID 114355644
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
CID 114355038
4-[[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline
CID 114355000
2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine
CID 114355066
2-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354868
1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
CID 114354845
N-methyl-1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 114354902
[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine
CID 114355051
5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine
CID 114354956

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine (CID 114354995) is [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine is NC(c1cccs1)c1nn2c(C3CCOC3)nnc2s1.
What is the InChIKey of [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine?
The InChIKey is UJLNAVCBEBMUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS2/c13-9(8-2-1-5-19-8)11-16-17-10(7-3-4-18-6-7)14-15-12(17)20-11/h1-2,5,7,9H,3-4,6,13H2.
What are the key properties of [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine?
[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine has a molecular weight of 307.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 114354995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).