5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole

C8H14N2S — CID 163868443

IUPAC5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole
SMILESCCC(C)(C)c1nsc(C)n1
InChIInChI=1S/C8H14N2S/c1-5-8(3,4)7-9-6(2)11-10-7/h5H2,1-4H3
InChIKeyPIRRMDSXEGGGBQ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.53
Rot. Bonds2

About 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole

5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole (PubChem CID 163868443) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole
PubChem CID163868443
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole
SMILESCCC(C)(C)c1nsc(C)n1
InChIInChI=1S/C8H14N2S/c1-5-8(3,4)7-9-6(2)11-10-7/h5H2,1-4H3
InChIKeyPIRRMDSXEGGGBQ-UHFFFAOYSA-N
XLogP2.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole (CID 163868443) is 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole is CCC(C)(C)c1nsc(C)n1.
What is the InChIKey of 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole?
The InChIKey is PIRRMDSXEGGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5-8(3,4)7-9-6(2)11-10-7/h5H2,1-4H3.
What are the key properties of 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole?
5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylbutan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 163868443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).