3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol

C8H14N2OS2 — CID 66103976

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCCc1nsc(SCC(C)CO)n1
InChIInChI=1S/C8H14N2OS2/c1-3-7-9-8(13-10-7)12-5-6(2)4-11/h6,11H,3-5H2,1-2H3
InChIKeyAWHVQYVADPUOIG-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.82
Rot. Bonds5

About 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 66103976) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol
PubChem CID66103976
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCCc1nsc(SCC(C)CO)n1
InChIInChI=1S/C8H14N2OS2/c1-3-7-9-8(13-10-7)12-5-6(2)4-11/h6,11H,3-5H2,1-2H3
InChIKeyAWHVQYVADPUOIG-UHFFFAOYSA-N
XLogP1.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol (CID 66103976) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol is CCc1nsc(SCC(C)CO)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is AWHVQYVADPUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-3-7-9-8(13-10-7)12-5-6(2)4-11/h6,11H,3-5H2,1-2H3.
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 218.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66103976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).