1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

C11H15N3OS — CID 107065669

IUPAC1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1cn(C)nn1
InChIInChI=1S/C11H15N3OS/c1-3-8-4-5-16-11(8)10(15)6-9-7-14(2)13-12-9/h4-5,7,10,15H,3,6H2,1-2H3
InChIKeyXGVDQWMGJZBKJC-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.72
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107065669) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107065669
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1cn(C)nn1
InChIInChI=1S/C11H15N3OS/c1-3-8-4-5-16-11(8)10(15)6-9-7-14(2)13-12-9/h4-5,7,10,15H,3,6H2,1-2H3
InChIKeyXGVDQWMGJZBKJC-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

(1-{1-[(3-methyl-2-thienyl)methyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)(phenyl)methanol
CID 45222910
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
1-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 154782174
1-[1-[(1S)-1-(4-fluorophenyl)propyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 167898065
(1,5-Dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 79584574
(2S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 169856095
(2S,4S,6S)-2-methyl-4-(5-methylthiophen-3-yl)-6-(1-methyltriazol-4-yl)piperidin-4-ol
CID 170108070
(1-Ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 171763235
(S)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
CID 31074696

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107065669) is 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is CCc1ccsc1C(O)Cc1cn(C)nn1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is XGVDQWMGJZBKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-8-4-5-16-11(8)10(15)6-9-7-14(2)13-12-9/h4-5,7,10,15H,3,6H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(3-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-(3-ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107065669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).