2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol

C8H8N2OS2 — CID 130899391

IUPAC2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol
SMILESOC(Cc1cnsn1)c1cccs1
InChIInChI=1S/C8H8N2OS2/c11-7(8-2-1-3-12-8)4-6-5-9-13-10-6/h1-3,5,7,11H,4H2
InChIKeyHWOONGZCOZUONL-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.88
Rot. Bonds3

About 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol

2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol (PubChem CID 130899391) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol
PubChem CID130899391
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol
SMILESOC(Cc1cnsn1)c1cccs1
InChIInChI=1S/C8H8N2OS2/c11-7(8-2-1-3-12-8)4-6-5-9-13-10-6/h1-3,5,7,11H,4H2
InChIKeyHWOONGZCOZUONL-UHFFFAOYSA-N
XLogP1.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(2-methyltriazol-4-yl)methanol
CID 130603747
2-(4-Methyl-1,2,5-oxadiazol-3-yl)-1-thiophen-2-ylethanol
CID 21591880
(5-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494698
2-thiophen-2-yl-1-(2H-triazol-4-yl)ethanol
CID 80494847
thiophen-2-yl(2H-triazol-4-yl)methanol
CID 80494902
2-(5-ethylthiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494933
3-thiophen-2-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494972
(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-2-ylethanol
CID 105087126
2-(5-Bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087218
2-(5-Chlorothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087372
2-(5-Ethylthiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087594

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol (CID 130899391) is 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol is OC(Cc1cnsn1)c1cccs1.
What is the InChIKey of 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol?
The InChIKey is HWOONGZCOZUONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-7(8-2-1-3-12-8)4-6-5-9-13-10-6/h1-3,5,7,11H,4H2.
What are the key properties of 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol?
2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol has a molecular weight of 212.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 130899391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).