1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol

C8H8N2OS2 — CID 105087160

IUPAC1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1csnn1
InChIInChI=1S/C8H8N2OS2/c11-8(7-5-13-10-9-7)4-6-2-1-3-12-6/h1-3,5,8,11H,4H2
InChIKeyCQKAMCQWGNGAOK-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.88
Rot. Bonds3

About 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol

1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol (PubChem CID 105087160) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol
PubChem CID105087160
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1csnn1
InChIInChI=1S/C8H8N2OS2/c11-8(7-5-13-10-9-7)4-6-2-1-3-12-6/h1-3,5,8,11H,4H2
InChIKeyCQKAMCQWGNGAOK-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-Methylthiophen-3-yl)-(thiadiazol-4-yl)methanol
CID 102842253
(4-Ethylthiadiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 102842425
(2-Methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanol
CID 102842516
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079956
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
(4-Propylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079979
1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134
1-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087162
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087163
1-(4-Tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087179
1-(4-Propylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087181

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol (CID 105087160) is 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol is OC(Cc1cccs1)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol?
The InChIKey is CQKAMCQWGNGAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-8(7-5-13-10-9-7)4-6-2-1-3-12-6/h1-3,5,8,11H,4H2.
What are the key properties of 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol?
1-(thiadiazol-4-yl)-2-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 1-(thiadiazol-4-yl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 105087160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).