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

C7H12N2OS2 — CID 65274078

IUPAC2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
SMILESCC(C)c1nsc(SCCO)n1
InChIInChI=1S/C7H12N2OS2/c1-5(2)6-8-7(12-9-6)11-4-3-10/h5,10H,3-4H2,1-2H3
InChIKeyYNRIMWUINZAQLM-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.75
Rot. Bonds4

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

2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol (PubChem CID 65274078) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
PubChem CID65274078
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
SMILESCC(C)c1nsc(SCCO)n1
InChIInChI=1S/C7H12N2OS2/c1-5(2)6-8-7(12-9-6)11-4-3-10/h5,10H,3-4H2,1-2H3
InChIKeyYNRIMWUINZAQLM-UHFFFAOYSA-N
XLogP1.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol (CID 65274078) is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol is CC(C)c1nsc(SCCO)n1.
What is the InChIKey of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The InChIKey is YNRIMWUINZAQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-5(2)6-8-7(12-9-6)11-4-3-10/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol has a molecular weight of 204.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol is sourced from PubChem (CID 65274078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).