2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol

C10H16N2O2S — CID 115078512

IUPAC2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(CC2CCCSC2)n1
InChIInChI=1S/C10H16N2O2S/c13-4-3-9-11-10(14-12-9)6-8-2-1-5-15-7-8/h8,13H,1-7H2
InChIKeyARRKNOCQZMDOCP-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.29
Rot. Bonds4

About 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol

2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 115078512) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID115078512
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(CC2CCCSC2)n1
InChIInChI=1S/C10H16N2O2S/c13-4-3-9-11-10(14-12-9)6-8-2-1-5-15-7-8/h8,13H,1-7H2
InChIKeyARRKNOCQZMDOCP-UHFFFAOYSA-N
XLogP1.29
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078484
N-methyl-3-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078631
3-bromo-5-(thian-3-ylmethyl)-1,2,4-oxadiazole
CID 115078468
3-[3-(thian-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081659
2-[5-[(1,1-dioxothian-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078510
N-methyl-3-[5-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077404
2-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078517
3-piperidin-4-yl-5-(thian-3-ylmethyl)-1,2,4-oxadiazole
CID 115078537
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
2-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl-[(3S)-thian-3-yl]amino]ethanol
CID 124738075
1-[2-(thian-3-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115083355
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432

Frequently Asked Questions

What is the IUPAC name of 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 115078512) is 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol is OCCc1noc(CC2CCCSC2)n1.
What is the InChIKey of 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is ARRKNOCQZMDOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-4-3-9-11-10(14-12-9)6-8-2-1-5-15-7-8/h8,13H,1-7H2.
What are the key properties of 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 228.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 115078512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).