2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol

C8H12N2OS2 — CID 130815238

IUPAC2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
SMILESOC(Cc1cnsn1)C1CCSC1
InChIInChI=1S/C8H12N2OS2/c11-8(6-1-2-12-5-6)3-7-4-9-13-10-7/h4,6,8,11H,1-3,5H2
InChIKeyQMMNBTZPLASTOI-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.19
Rot. Bonds3

About 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol

2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol (PubChem CID 130815238) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
PubChem CID130815238
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol
SMILESOC(Cc1cnsn1)C1CCSC1
InChIInChI=1S/C8H12N2OS2/c11-8(6-1-2-12-5-6)3-7-4-9-13-10-7/h4,6,8,11H,1-3,5H2
InChIKeyQMMNBTZPLASTOI-UHFFFAOYSA-N
XLogP1.19
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-3-yl-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 164650172
1-cyclohex-3-en-1-yl-2-(1,2,5-thiadiazol-3-yl)ethanol
CID 130815266
2-(4-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105077394
2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 105103437
1-(thiolan-3-yl)-2-thiophen-3-ylethanol
CID 105089532
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
CID 105076793
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
2-hydroxy-3-(1,2,5-thiadiazol-3-yl)propanal
CID 130815190
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
1-(thiolan-3-yl)pent-4-yn-1-ol
CID 105098646
2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol
CID 114283090

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol?
The IUPAC name of 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol (CID 130815238) is 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol.
What is the SMILES notation for 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol?
The canonical SMILES for 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol is OC(Cc1cnsn1)C1CCSC1.
What is the InChIKey of 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol?
The InChIKey is QMMNBTZPLASTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS2/c11-8(6-1-2-12-5-6)3-7-4-9-13-10-7/h4,6,8,11H,1-3,5H2.
What are the key properties of 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol?
2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol has a molecular weight of 216.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,5-thiadiazol-3-yl)-1-(thiolan-3-yl)ethanol is sourced from PubChem (CID 130815238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).