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

C8H8N2OS2 — CID 130900571

IUPAC2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol
SMILESOC(Cc1cnsn1)c1ccsc1
InChIInChI=1S/C8H8N2OS2/c11-8(6-1-2-12-5-6)3-7-4-9-13-10-7/h1-2,4-5,8,11H,3H2
InChIKeyOCJWUGJZQJHZCJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.88
Rot. Bonds3

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

2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol (PubChem CID 130900571) 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-3-ylethanol.

Molecular Properties

Compound Name2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol
PubChem CID130900571
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol
SMILESOC(Cc1cnsn1)c1ccsc1
InChIInChI=1S/C8H8N2OS2/c11-8(6-1-2-12-5-6)3-7-4-9-13-10-7/h1-2,4-5,8,11H,3H2
InChIKeyOCJWUGJZQJHZCJ-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

2-thiophen-3-yl-1-(2H-triazol-4-yl)ethanol
CID 80494782
thiophen-3-yl(2H-triazol-4-yl)methanol
CID 80494810
3-thiophen-3-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494843
(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
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-3-ylethanol
CID 105089455
1-(1,2,5-Thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097814
(5-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105103809
(3-Methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105112915
(4-Bromothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105113100
2-(1-Methyltriazol-4-yl)-1-thiophen-3-ylethanol
CID 107045842
1,2,5-Thiadiazol-3-yl(thiophen-2-yl)methanol
CID 121600259

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol (CID 130900571) is 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol is OC(Cc1cnsn1)c1ccsc1.
What is the InChIKey of 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol?
The InChIKey is OCJWUGJZQJHZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-8(6-1-2-12-5-6)3-7-4-9-13-10-7/h1-2,4-5,8,11H,3H2.
What are the key properties of 2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-ylethanol?
2-(1,2,5-thiadiazol-3-yl)-1-thiophen-3-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-3-ylethanol is sourced from PubChem (CID 130900571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).