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

C8H8N2OS2 — CID 105089455

IUPAC1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cnsn1
InChIInChI=1S/C8H8N2OS2/c11-8(7-4-9-13-10-7)3-6-1-2-12-5-6/h1-2,4-5,8,11H,3H2
InChIKeyYCLCVRJHBMETES-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.88
Rot. Bonds3

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

1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol (PubChem CID 105089455) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol
PubChem CID105089455
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cnsn1
InChIInChI=1S/C8H8N2OS2/c11-8(7-4-9-13-10-7)3-6-1-2-12-5-6/h1-2,4-5,8,11H,3H2
InChIKeyYCLCVRJHBMETES-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-methylthiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494600
(5-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 80494626
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
2-(5-Ethylthiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105087594
2-(3-Bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888
1-(1,2,5-Thiadiazol-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097814
1-(1,2,5-Thiadiazol-3-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099263
(5-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105103809

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol (CID 105089455) is 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1cnsn1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol?
The InChIKey is YCLCVRJHBMETES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-8(7-4-9-13-10-7)3-6-1-2-12-5-6/h1-2,4-5,8,11H,3H2.
What are the key properties of 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol?
1-(1,2,5-thiadiazol-3-yl)-2-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 1-(1,2,5-thiadiazol-3-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105089455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).