2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol

C8H8ClN3OS — CID 130697553

IUPAC2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
SMILESOC(Cc1csc(Cl)c1)c1cn[nH]n1
InChIInChI=1S/C8H8ClN3OS/c9-8-2-5(4-14-8)1-7(13)6-3-10-12-11-6/h2-4,7,13H,1H2,(H,10,11,12)
InChIKeyRHFUYCXUSUBVQM-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.80
Rot. Bonds3

About 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol

2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol (PubChem CID 130697553) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
PubChem CID130697553
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol
SMILESOC(Cc1csc(Cl)c1)c1cn[nH]n1
InChIInChI=1S/C8H8ClN3OS/c9-8-2-5(4-14-8)1-7(13)6-3-10-12-11-6/h2-4,7,13H,1H2,(H,10,11,12)
InChIKeyRHFUYCXUSUBVQM-UHFFFAOYSA-N
XLogP1.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
2-(5-chlorothiophen-2-yl)-1-(2H-triazol-4-yl)ethanol
CID 80494815
3-thiophen-3-yl-1-(2H-triazol-4-yl)propan-1-ol
CID 80494843
(5-chlorothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 80494968
(2-methylthiophen-3-yl)-(2H-triazol-4-yl)methanol
CID 102831489
1-(1,2,5-Thiadiazol-3-yl)-2-thiophen-3-ylethanol
CID 105089455
(3-chlorothiophen-2-yl)-(2H-triazol-4-yl)methanol
CID 107359592
(2,5-Dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 107969884
(2,5-Dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 107969906

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol (CID 130697553) is 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol is OC(Cc1csc(Cl)c1)c1cn[nH]n1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol?
The InChIKey is RHFUYCXUSUBVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c9-8-2-5(4-14-8)1-7(13)6-3-10-12-11-6/h2-4,7,13H,1H2,(H,10,11,12).
What are the key properties of 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol?
2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol has a molecular weight of 229.69 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-1-(2H-triazol-4-yl)ethanol is sourced from PubChem (CID 130697553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).