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

C7H12N2S — CID 59871599

IUPAC5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCc1nc(CC(C)C)ns1
InChIInChI=1S/C7H12N2S/c1-5(2)4-7-8-6(3)10-9-7/h5H,4H2,1-3H3
InChIKeyBFBBKPOXWPWEPN-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.05
Rot. Bonds2

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

5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 59871599) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole
PubChem CID59871599
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCc1nc(CC(C)C)ns1
InChIInChI=1S/C7H12N2S/c1-5(2)4-7-8-6(3)10-9-7/h5H,4H2,1-3H3
InChIKeyBFBBKPOXWPWEPN-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.05
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-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole (CID 59871599) is 5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole is Cc1nc(CC(C)C)ns1.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is BFBBKPOXWPWEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)4-7-8-6(3)10-9-7/h5H,4H2,1-3H3.
What are the key properties of 5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole?
5-methyl-3-(2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.05, 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-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 59871599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).