2-(2,2-dimethylpropyl)-1,3,4-thiadiazole

C7H12N2S — CID 58695826

IUPAC2-(2,2-dimethylpropyl)-1,3,4-thiadiazole
SMILESCC(C)(C)Cc1nncs1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-9-8-5-10-6/h5H,4H2,1-3H3
InChIKeyRAEIWQUWROLHRR-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.13
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole

2-(2,2-dimethylpropyl)-1,3,4-thiadiazole (PubChem CID 58695826) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,3,4-thiadiazole
PubChem CID58695826
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-(2,2-dimethylpropyl)-1,3,4-thiadiazole
SMILESCC(C)(C)Cc1nncs1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-9-8-5-10-6/h5H,4H2,1-3H3
InChIKeyRAEIWQUWROLHRR-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 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole (CID 58695826) is 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole is CC(C)(C)Cc1nncs1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole?
The InChIKey is RAEIWQUWROLHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-7(2,3)4-6-9-8-5-10-6/h5H,4H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole?
2-(2,2-dimethylpropyl)-1,3,4-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 2-(2,2-dimethylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 58695826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).