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

C9H16N2S — CID 126698771

IUPAC5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole
SMILESCCCC(C)(C)c1nsc(C)n1
InChIInChI=1S/C9H16N2S/c1-5-6-9(3,4)8-10-7(2)12-11-8/h5-6H2,1-4H3
InChIKeySRDPXVKDYFBDMC-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.92
Rot. Bonds3

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

5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole (PubChem CID 126698771) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole
PubChem CID126698771
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole
SMILESCCCC(C)(C)c1nsc(C)n1
InChIInChI=1S/C9H16N2S/c1-5-6-9(3,4)8-10-7(2)12-11-8/h5-6H2,1-4H3
InChIKeySRDPXVKDYFBDMC-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.92
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-methylpentan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole (CID 126698771) is 5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole is CCCC(C)(C)c1nsc(C)n1.
What is the InChIKey of 5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole?
The InChIKey is SRDPXVKDYFBDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5-6-9(3,4)8-10-7(2)12-11-8/h5-6H2,1-4H3.
What are the key properties of 5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole?
5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole has a molecular weight of 184.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 126698771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).