5-propan-2-yl-3-propyl-1,2,4-thiadiazole

C8H14N2S — CID 20605584

IUPAC5-propan-2-yl-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(C(C)C)n1
InChIInChI=1S/C8H14N2S/c1-4-5-7-9-8(6(2)3)11-10-7/h6H,4-5H2,1-3H3
InChIKeyTVKGSZFDVVOKIA-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.61
Rot. Bonds3

About 5-propan-2-yl-3-propyl-1,2,4-thiadiazole

5-propan-2-yl-3-propyl-1,2,4-thiadiazole (PubChem CID 20605584) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-propan-2-yl-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-propyl-1,2,4-thiadiazole
PubChem CID20605584
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name5-propan-2-yl-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(C(C)C)n1
InChIInChI=1S/C8H14N2S/c1-4-5-7-9-8(6(2)3)11-10-7/h6H,4-5H2,1-3H3
InChIKeyTVKGSZFDVVOKIA-UHFFFAOYSA-N
XLogP2.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.61
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-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-propan-2-yl-3-propyl-1,2,4-thiadiazole (CID 20605584) is 5-propan-2-yl-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-propan-2-yl-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-propan-2-yl-3-propyl-1,2,4-thiadiazole is CCCc1nsc(C(C)C)n1.
What is the InChIKey of 5-propan-2-yl-3-propyl-1,2,4-thiadiazole?
The InChIKey is TVKGSZFDVVOKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-5-7-9-8(6(2)3)11-10-7/h6H,4-5H2,1-3H3.
What are the key properties of 5-propan-2-yl-3-propyl-1,2,4-thiadiazole?
5-propan-2-yl-3-propyl-1,2,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 20605584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).