1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

C11H15N3OS — CID 107045978

IUPAC1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCCc1ccc(C(O)Cc2cn(C)nn2)s1
InChIInChI=1S/C11H15N3OS/c1-3-9-4-5-11(16-9)10(15)6-8-7-14(2)13-12-8/h4-5,7,10,15H,3,6H2,1-2H3
InChIKeyLZIQTMVDRDXKSE-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.72
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045978) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045978
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCCc1ccc(C(O)Cc2cn(C)nn2)s1
InChIInChI=1S/C11H15N3OS/c1-3-9-4-5-11(16-9)10(15)6-8-7-14(2)13-12-8/h4-5,7,10,15H,3,6H2,1-2H3
InChIKeyLZIQTMVDRDXKSE-UHFFFAOYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Methyltriazol-4-yl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 107045943
1-(5-Fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065606
1-(6-Fluoro-1-benzothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065642
(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
2-[1-(Thiophen-2-ylmethyl)triazol-4-yl]ethanol
CID 62399436
2-[1-[(5-Ethylthiophen-2-yl)methyl]triazol-4-yl]ethanol
CID 62399620
[1-[(5-Ethylthiophen-2-yl)methyl]triazol-4-yl]methanol
CID 62401466
2-(5-Ethylthiophen-2-yl)-1-pyrazin-2-ylethanol
CID 62607825
[1-(2-Thiophen-2-ylethyl)triazol-4-yl]methanol
CID 63773551
2-[1-(2-Thiophen-2-ylethyl)triazol-4-yl]ethanol
CID 63773552
(5-Ethylthiophen-2-yl)-pyrazin-2-ylmethanol
CID 63970050
1-(1-Methylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-ol
CID 65195093

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045978) is 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is CCc1ccc(C(O)Cc2cn(C)nn2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is LZIQTMVDRDXKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-9-4-5-11(16-9)10(15)6-8-7-14(2)13-12-8/h4-5,7,10,15H,3,6H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 237.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).