2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole

C8H14N2S — CID 89033718

IUPAC2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole
SMILESCCC(C)Cc1nnc(C)s1
InChIInChI=1S/C8H14N2S/c1-4-6(2)5-8-10-9-7(3)11-8/h6H,4-5H2,1-3H3
InChIKeyHEANTZRYRXXHKW-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.44
Rot. Bonds3

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

2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole (PubChem CID 89033718) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole
PubChem CID89033718
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole
SMILESCCC(C)Cc1nnc(C)s1
InChIInChI=1S/C8H14N2S/c1-4-6(2)5-8-10-9-7(3)11-8/h6H,4-5H2,1-3H3
InChIKeyHEANTZRYRXXHKW-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2-Pentan-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 70672393
2,5-Dipropyl-1,3,4-thiadiazole
CID 12639664
2,5-Dibutyl-1,3,4-thiadiazole
CID 12639665
2,5-Dihexyl-1,3,4-thiadiazole
CID 12639666
2-Cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole
CID 20605514
2-Ethyl-5-isopropyl-1,3,4-thiadiazole
CID 20605517
2-Methyl-5-propan-2-yl-1,3,4-thiadiazole
CID 20605521
2-Methyl-5-(3-methylpentan-3-yl)-1,3,4-thiadiazole
CID 21365760
2-Cyclopropyl-5-methyl-1,3,4-thiadiazole
CID 22946443
2-Isobutyl-5-methyl-1,3,4-thiadiazole
CID 45123425
2-Methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
CID 54363891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole (CID 89033718) is 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole is CCC(C)Cc1nnc(C)s1.
What is the InChIKey of 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole?
The InChIKey is HEANTZRYRXXHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-6(2)5-8-10-9-7(3)11-8/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole?
2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylbutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 89033718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).