4-(2-methylpropyl)thiadiazole

C6H10N2S — CID 118148363

IUPAC4-(2-methylpropyl)thiadiazole
SMILESCC(C)Cc1csnn1
InChIInChI=1S/C6H10N2S/c1-5(2)3-6-4-9-8-7-6/h4-5H,3H2,1-2H3
InChIKeyAFUGPQKCDCXGMH-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.74
Rot. Bonds2

About 4-(2-methylpropyl)thiadiazole

4-(2-methylpropyl)thiadiazole (PubChem CID 118148363) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4-(2-methylpropyl)thiadiazole.

Molecular Properties

Compound Name4-(2-methylpropyl)thiadiazole
PubChem CID118148363
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4-(2-methylpropyl)thiadiazole
SMILESCC(C)Cc1csnn1
InChIInChI=1S/C6H10N2S/c1-5(2)3-6-4-9-8-7-6/h4-5H,3H2,1-2H3
InChIKeyAFUGPQKCDCXGMH-UHFFFAOYSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)thiadiazole?
The IUPAC name of 4-(2-methylpropyl)thiadiazole (CID 118148363) is 4-(2-methylpropyl)thiadiazole.
What is the SMILES notation for 4-(2-methylpropyl)thiadiazole?
The canonical SMILES for 4-(2-methylpropyl)thiadiazole is CC(C)Cc1csnn1.
What is the InChIKey of 4-(2-methylpropyl)thiadiazole?
The InChIKey is AFUGPQKCDCXGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5(2)3-6-4-9-8-7-6/h4-5H,3H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)thiadiazole?
4-(2-methylpropyl)thiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)thiadiazole is sourced from PubChem (CID 118148363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).