4-(2,2-dimethylpropyl)thiadiazole

C7H12N2S — CID 58612134

IUPAC4-(2,2-dimethylpropyl)thiadiazole
SMILESCC(C)(C)Cc1csnn1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-5-10-9-8-6/h5H,4H2,1-3H3
InChIKeyZBQCCPOMLGSPCV-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.13
Rot. Bonds1

About 4-(2,2-dimethylpropyl)thiadiazole

4-(2,2-dimethylpropyl)thiadiazole (PubChem CID 58612134) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)thiadiazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)thiadiazole
PubChem CID58612134
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-(2,2-dimethylpropyl)thiadiazole
SMILESCC(C)(C)Cc1csnn1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-5-10-9-8-6/h5H,4H2,1-3H3
InChIKeyZBQCCPOMLGSPCV-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)thiadiazole?
The IUPAC name of 4-(2,2-dimethylpropyl)thiadiazole (CID 58612134) is 4-(2,2-dimethylpropyl)thiadiazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)thiadiazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)thiadiazole is CC(C)(C)Cc1csnn1.
What is the InChIKey of 4-(2,2-dimethylpropyl)thiadiazole?
The InChIKey is ZBQCCPOMLGSPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-7(2,3)4-6-5-10-9-8-6/h5H,4H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)thiadiazole?
4-(2,2-dimethylpropyl)thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)thiadiazole is sourced from PubChem (CID 58612134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).