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

C7H12N2S — CID 58062670

IUPAC3-(2,2-dimethylpropyl)-1,2,4-thiadiazole
SMILESCC(C)(C)Cc1ncsn1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-8-5-10-9-6/h5H,4H2,1-3H3
InChIKeyMXRMRHYRLSEHBQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.13
Rot. Bonds1

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

3-(2,2-dimethylpropyl)-1,2,4-thiadiazole (PubChem CID 58062670) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,2,4-thiadiazole
PubChem CID58062670
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name3-(2,2-dimethylpropyl)-1,2,4-thiadiazole
SMILESCC(C)(C)Cc1ncsn1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-8-5-10-9-6/h5H,4H2,1-3H3
InChIKeyMXRMRHYRLSEHBQ-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 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole (CID 58062670) is 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole is CC(C)(C)Cc1ncsn1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole?
The InChIKey is MXRMRHYRLSEHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-7(2,3)4-6-8-5-10-9-6/h5H,4H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole?
3-(2,2-dimethylpropyl)-1,2,4-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 3-(2,2-dimethylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 58062670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).