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

C8H7ClN2OS2 — CID 130534849

IUPAC2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1sccc1Cl)c1cnns1
InChIInChI=1S/C8H7ClN2OS2/c9-5-1-2-13-7(5)3-6(12)8-4-10-11-14-8/h1-2,4,6,12H,3H2
InChIKeyPYJAVSQDFWWPCC-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.53
Rot. Bonds3

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

2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 130534849) has the molecular formula C8H7ClN2OS2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
PubChem CID130534849
Molecular FormulaC8H7ClN2OS2
Molecular Weight246.74 g/mol
Exact Mass245.97
IUPAC Name2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1sccc1Cl)c1cnns1
InChIInChI=1S/C8H7ClN2OS2/c9-5-1-2-13-7(5)3-6(12)8-4-10-11-14-8/h1-2,4,6,12H,3H2
InChIKeyPYJAVSQDFWWPCC-UHFFFAOYSA-N
XLogP2.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiadiazol-5-yl(thiophen-2-yl)methanol
CID 105079974
1-(Thiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087175
2-(5-Bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105087311
2-(5-Chlorothiophen-2-yl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105087378
2-(5-Chlorothiophen-2-yl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087427
2-(5-Chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105087440
2-(5-Chlorothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanol
CID 105087446
2-(5-Ethylthiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105087705
2-(4-Bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105090603
2-(3-Bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105090968
1-(Thiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099364
(5-Methylthiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 105109336

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol (CID 130534849) is 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol is OC(Cc1sccc1Cl)c1cnns1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is PYJAVSQDFWWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS2/c9-5-1-2-13-7(5)3-6(12)8-4-10-11-14-8/h1-2,4,6,12H,3H2.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol?
2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 246.74 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 130534849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).