2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol

C12H10N2OS2 — CID 105083324

IUPAC2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1csc2ccccc12)c1cnns1
InChIInChI=1S/C12H10N2OS2/c15-10(12-6-13-14-17-12)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,6-7,10,15H,5H2
InChIKeyJTKKLBYUJZPHAQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.03
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol

2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 105083324) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
PubChem CID105083324
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1csc2ccccc12)c1cnns1
InChIInChI=1S/C12H10N2OS2/c15-10(12-6-13-14-17-12)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,6-7,10,15H,5H2
InChIKeyJTKKLBYUJZPHAQ-UHFFFAOYSA-N
XLogP3.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494725
(2-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 102842463
2-(1-Benzothiophen-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105083301
2-(1-Benzothiophen-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105083304
2-(1-Benzothiophen-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105083332
2-(1-Benzothiophen-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105083334
1-(Thiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087175
1-(Thiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089517
1-(Thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097893
1-(Thiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099364
(5-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 105103914
(3-Methylthiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 105113018

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol (CID 105083324) is 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol is OC(Cc1csc2ccccc12)c1cnns1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is JTKKLBYUJZPHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c15-10(12-6-13-14-17-12)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,6-7,10,15H,5H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol?
2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 262.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 105083324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).