2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol

C9H12N4OS — CID 105112314

IUPAC2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol
SMILESCCn1ccnc1CC(O)c1csnn1
InChIInChI=1S/C9H12N4OS/c1-2-13-4-3-10-9(13)5-8(14)7-6-15-12-11-7/h3-4,6,8,14H,2,5H2,1H3
InChIKeyQWLCLJHYEBZVHV-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.03
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol

2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol (PubChem CID 105112314) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol
PubChem CID105112314
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol
SMILESCCn1ccnc1CC(O)c1csnn1
InChIInChI=1S/C9H12N4OS/c1-2-13-4-3-10-9(13)5-8(14)7-6-15-12-11-7/h3-4,6,8,14H,2,5H2,1H3
InChIKeyQWLCLJHYEBZVHV-UHFFFAOYSA-N
XLogP1.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105165773
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CID 79743859
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol
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CID 107978538
N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 65216299
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
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1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
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2-(1-ethylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol (CID 105112314) is 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol is CCn1ccnc1CC(O)c1csnn1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol?
The InChIKey is QWLCLJHYEBZVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-2-13-4-3-10-9(13)5-8(14)7-6-15-12-11-7/h3-4,6,8,14H,2,5H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol?
2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol has a molecular weight of 224.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 105112314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).