2-(2-methylpentan-2-yl)-1,3,4-thiadiazole

C8H14N2S — CID 173172766

IUPAC2-(2-methylpentan-2-yl)-1,3,4-thiadiazole
SMILESCCCC(C)(C)c1nncs1
InChIInChI=1S/C8H14N2S/c1-4-5-8(2,3)7-10-9-6-11-7/h6H,4-5H2,1-3H3
InChIKeyXFEHUXUOMNOFQL-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole

2-(2-methylpentan-2-yl)-1,3,4-thiadiazole (PubChem CID 173172766) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methylpentan-2-yl)-1,3,4-thiadiazole
PubChem CID173172766
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(2-methylpentan-2-yl)-1,3,4-thiadiazole
SMILESCCCC(C)(C)c1nncs1
InChIInChI=1S/C8H14N2S/c1-4-5-8(2,3)7-10-9-6-11-7/h6H,4-5H2,1-3H3
InChIKeyXFEHUXUOMNOFQL-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole (CID 173172766) is 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole is CCCC(C)(C)c1nncs1.
What is the InChIKey of 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole?
The InChIKey is XFEHUXUOMNOFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-5-8(2,3)7-10-9-6-11-7/h6H,4-5H2,1-3H3.
What are the key properties of 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole?
2-(2-methylpentan-2-yl)-1,3,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 173172766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).