2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol

C10H13N3OS — CID 63773552

IUPAC2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(CCc2cccs2)nn1
InChIInChI=1S/C10H13N3OS/c14-6-4-9-8-13(12-11-9)5-3-10-2-1-7-15-10/h1-2,7-8,14H,3-6H2
InChIKeyOTGMVRUSEBOJKT-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.12
Rot. Bonds5

About 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol

2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol (PubChem CID 63773552) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol
PubChem CID63773552
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(CCc2cccs2)nn1
InChIInChI=1S/C10H13N3OS/c14-6-4-9-8-13(12-11-9)5-3-10-2-1-7-15-10/h1-2,7-8,14H,3-6H2
InChIKeyOTGMVRUSEBOJKT-UHFFFAOYSA-N
XLogP1.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(Z)-2-thiophen-2-ylethenyl]triazol-1-yl]butan-1-ol
CID 168295925
2-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 55067235
2-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 62402082
3-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]propan-1-ol
CID 104093483
3-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]propan-1-ol
CID 104093552
1-(2-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047898
1-(3-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047900
1-(4-Fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 113909909
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
2-[1-[[3-Methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]ethanol
CID 167913071
[(1R,4S)-4-(4-thiophen-3-yltriazol-1-yl)cyclopent-2-en-1-yl]methanol
CID 101838452
4-(Methylsulfanylmethyl)-1-(2-thiophen-2-ylethyl)triazole
CID 68516741

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol (CID 63773552) is 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol is OCCc1cn(CCc2cccs2)nn1.
What is the InChIKey of 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol?
The InChIKey is OTGMVRUSEBOJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-6-4-9-8-13(12-11-9)5-3-10-2-1-7-15-10/h1-2,7-8,14H,3-6H2.
What are the key properties of 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol?
2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol has a molecular weight of 223.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-2-ylethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 63773552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).