5-(2,2-dimethylpropyl)thiadiazole

C7H12N2S — CID 59574383

IUPAC5-(2,2-dimethylpropyl)thiadiazole
SMILESCC(C)(C)Cc1cnns1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-5-8-9-10-6/h5H,4H2,1-3H3
InChIKeyTUFCBDIQFOEIPA-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.13
Rot. Bonds1

About 5-(2,2-dimethylpropyl)thiadiazole

5-(2,2-dimethylpropyl)thiadiazole (PubChem CID 59574383) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)thiadiazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)thiadiazole
PubChem CID59574383
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-(2,2-dimethylpropyl)thiadiazole
SMILESCC(C)(C)Cc1cnns1
InChIInChI=1S/C7H12N2S/c1-7(2,3)4-6-5-8-9-10-6/h5H,4H2,1-3H3
InChIKeyTUFCBDIQFOEIPA-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

Analyze 5-(2,2-dimethylpropyl)thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)thiadiazole?
The IUPAC name of 5-(2,2-dimethylpropyl)thiadiazole (CID 59574383) is 5-(2,2-dimethylpropyl)thiadiazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)thiadiazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)thiadiazole is CC(C)(C)Cc1cnns1.
What is the InChIKey of 5-(2,2-dimethylpropyl)thiadiazole?
The InChIKey is TUFCBDIQFOEIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-7(2,3)4-6-5-8-9-10-6/h5H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)thiadiazole?
5-(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 5-(2,2-dimethylpropyl)thiadiazole is sourced from PubChem (CID 59574383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).