2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol

C8H14N2OS2 — CID 65274134

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
SMILESCC(C)(C)c1nsc(SCCO)n1
InChIInChI=1S/C8H14N2OS2/c1-8(2,3)6-9-7(13-10-6)12-5-4-11/h11H,4-5H2,1-3H3
InChIKeyYQNNLQPCKMHKPM-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.92
Rot. Bonds3

About 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol (PubChem CID 65274134) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
PubChem CID65274134
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
SMILESCC(C)(C)c1nsc(SCCO)n1
InChIInChI=1S/C8H14N2OS2/c1-8(2,3)6-9-7(13-10-6)12-5-4-11/h11H,4-5H2,1-3H3
InChIKeyYQNNLQPCKMHKPM-UHFFFAOYSA-N
XLogP1.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol (CID 65274134) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol is CC(C)(C)c1nsc(SCCO)n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The InChIKey is YQNNLQPCKMHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-8(2,3)6-9-7(13-10-6)12-5-4-11/h11H,4-5H2,1-3H3.
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol has a molecular weight of 218.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol is sourced from PubChem (CID 65274134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).