2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol

C11H14N2OS2 — CID 94691207

IUPAC2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol
SMILESOCCSc1nccn1CCc1cccs1
InChIInChI=1S/C11H14N2OS2/c14-7-9-16-11-12-4-6-13(11)5-3-10-2-1-8-15-10/h1-2,4,6,8,14H,3,5,7,9H2
InChIKeyFVUQFMNKRPNZNI-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.27
Rot. Bonds6

About 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol

2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol (PubChem CID 94691207) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol
PubChem CID94691207
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol
SMILESOCCSc1nccn1CCc1cccs1
InChIInChI=1S/C11H14N2OS2/c14-7-9-16-11-12-4-6-13(11)5-3-10-2-1-8-15-10/h1-2,4,6,8,14H,3,5,7,9H2
InChIKeyFVUQFMNKRPNZNI-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
CID 94691066
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
2-[1-[2-(cyclohexen-1-yl)ethyl]imidazol-2-yl]sulfanylethanol
CID 94690828
4-[[5-methyl-4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-ol
CID 110931425
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25416397
1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
CID 79106807
2-[1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanylethanol
CID 94689526
5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003
3-thiophen-2-ylpropan-1-ol
CID 13109866

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol?
The IUPAC name of 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol (CID 94691207) is 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol.
What is the SMILES notation for 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol?
The canonical SMILES for 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol is OCCSc1nccn1CCc1cccs1.
What is the InChIKey of 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol?
The InChIKey is FVUQFMNKRPNZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c14-7-9-16-11-12-4-6-13(11)5-3-10-2-1-8-15-10/h1-2,4,6,8,14H,3,5,7,9H2.
What are the key properties of 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol?
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol has a molecular weight of 254.38 g/mol, XLogP of 2.27, 6 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)imidazol-2-yl]sulfanylethanol is sourced from PubChem (CID 94691207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).