4-tert-butyl-5-methylthiadiazole

C7H12N2S — CID 12552709

IUPAC4-tert-butyl-5-methylthiadiazole
SMILESCc1snnc1C(C)(C)C
InChIInChI=1S/C7H12N2S/c1-5-6(7(2,3)4)8-9-10-5/h1-4H3
InChIKeyGMJPVIVQDLADPP-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.14
Rot. Bonds

About 4-tert-butyl-5-methylthiadiazole

4-tert-butyl-5-methylthiadiazole (PubChem CID 12552709) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4-tert-butyl-5-methylthiadiazole.

Molecular Properties

Compound Name4-tert-butyl-5-methylthiadiazole
PubChem CID12552709
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4-tert-butyl-5-methylthiadiazole
SMILESCc1snnc1C(C)(C)C
InChIInChI=1S/C7H12N2S/c1-5-6(7(2,3)4)8-9-10-5/h1-4H3
InChIKeyGMJPVIVQDLADPP-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methylthiadiazole?
The IUPAC name of 4-tert-butyl-5-methylthiadiazole (CID 12552709) is 4-tert-butyl-5-methylthiadiazole.
What is the SMILES notation for 4-tert-butyl-5-methylthiadiazole?
The canonical SMILES for 4-tert-butyl-5-methylthiadiazole is Cc1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methylthiadiazole?
The InChIKey is GMJPVIVQDLADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5-6(7(2,3)4)8-9-10-5/h1-4H3.
What are the key properties of 4-tert-butyl-5-methylthiadiazole?
4-tert-butyl-5-methylthiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methylthiadiazole is sourced from PubChem (CID 12552709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).