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

C8H7ClN2OS2 — CID 131123687

IUPAC1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cnsn1)c1ccsc1Cl
InChIInChI=1S/C8H7ClN2OS2/c9-8-6(1-2-13-8)7(12)3-5-4-10-14-11-5/h1-2,4,7,12H,3H2
InChIKeyZZDOKIQETSLFIR-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.53
Rot. Bonds3

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

1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol (PubChem CID 131123687) has the molecular formula C8H7ClN2OS2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
PubChem CID131123687
Molecular FormulaC8H7ClN2OS2
Molecular Weight246.74 g/mol
Exact Mass245.97
IUPAC Name1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cnsn1)c1ccsc1Cl
InChIInChI=1S/C8H7ClN2OS2/c9-8-6(1-2-13-8)7(12)3-5-4-10-14-11-5/h1-2,4,7,12H,3H2
InChIKeyZZDOKIQETSLFIR-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

(2-Methylthiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 102842321
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
(3-Methylthiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105112915
(5-Chlorothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105119665
(3-Chlorothiophen-2-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 107361944
1,2,5-Thiadiazol-3-yl(thiophen-3-yl)methanol
CID 121600318
2-(5-Chlorothiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 130671723
2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
CID 130697553
(2-Chlorothiophen-3-yl)-(1,2,5-thiadiazol-3-yl)methanol
CID 130697868
(2-chlorothiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 130698412
1-(5-Iodothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815157

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The IUPAC name of 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol (CID 131123687) is 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol is OC(Cc1cnsn1)c1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
The InChIKey is ZZDOKIQETSLFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS2/c9-8-6(1-2-13-8)7(12)3-5-4-10-14-11-5/h1-2,4,7,12H,3H2.
What are the key properties of 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol?
1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-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 1-(2-chlorothiophen-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 131123687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).