5-propan-2-yl-1,2,4-thiadiazole

C5H8N2S — CID 20613646

IUPAC5-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1ncns1
InChIInChI=1S/C5H8N2S/c1-4(2)5-6-3-7-8-5/h3-4H,1-2H3
InChIKeyKJGSTGDELSIICP-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.66
Rot. Bonds1

About 5-propan-2-yl-1,2,4-thiadiazole

5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 20613646) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-propan-2-yl-1,2,4-thiadiazole
PubChem CID20613646
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name5-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1ncns1
InChIInChI=1S/C5H8N2S/c1-4(2)5-6-3-7-8-5/h3-4H,1-2H3
InChIKeyKJGSTGDELSIICP-UHFFFAOYSA-N
XLogP1.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-propan-2-yl-1,2,4-thiadiazole (CID 20613646) is 5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-propan-2-yl-1,2,4-thiadiazole is CC(C)c1ncns1.
What is the InChIKey of 5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is KJGSTGDELSIICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4(2)5-6-3-7-8-5/h3-4H,1-2H3.
What are the key properties of 5-propan-2-yl-1,2,4-thiadiazole?
5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 128.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 20613646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).