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

C8H14N2S — CID 54363891

IUPAC2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
SMILESCCC(C)(C)c1nnc(C)s1
InChIInChI=1S/C8H14N2S/c1-5-8(3,4)7-10-9-6(2)11-7/h5H2,1-4H3
InChIKeyUOKIHVUNRUCKQY-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.53
Rot. Bonds2

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

2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole (PubChem CID 54363891) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
PubChem CID54363891
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
SMILESCCC(C)(C)c1nnc(C)s1
InChIInChI=1S/C8H14N2S/c1-5-8(3,4)7-10-9-6(2)11-7/h5H2,1-4H3
InChIKeyUOKIHVUNRUCKQY-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 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole (CID 54363891) is 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole is CCC(C)(C)c1nnc(C)s1.
What is the InChIKey of 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole?
The InChIKey is UOKIHVUNRUCKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5-8(3,4)7-10-9-6(2)11-7/h5H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole?
2-methyl-5-(2-methylbutan-2-yl)-1,3,4-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 2-methyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 54363891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).