5-tert-butyl-3-fluoro-1,2,4-thiadiazole

C6H9FN2S — CID 146378409

IUPAC5-tert-butyl-3-fluoro-1,2,4-thiadiazole
SMILESCC(C)(C)c1nc(F)ns1
InChIInChI=1S/C6H9FN2S/c1-6(2,3)4-8-5(7)9-10-4/h1-3H3
InChIKeyWTLYJDIJIJBULI-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.97
Rot. Bonds

About 5-tert-butyl-3-fluoro-1,2,4-thiadiazole

5-tert-butyl-3-fluoro-1,2,4-thiadiazole (PubChem CID 146378409) has the molecular formula C6H9FN2S and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-tert-butyl-3-fluoro-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-fluoro-1,2,4-thiadiazole
PubChem CID146378409
Molecular FormulaC6H9FN2S
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name5-tert-butyl-3-fluoro-1,2,4-thiadiazole
SMILESCC(C)(C)c1nc(F)ns1
InChIInChI=1S/C6H9FN2S/c1-6(2,3)4-8-5(7)9-10-4/h1-3H3
InChIKeyWTLYJDIJIJBULI-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-1,2,4-thiadiazol-3-amine
CID 12246463
5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine
CID 12246467
3,5-Ditert-butyl-1,2,4-thiadiazole
CID 12846881
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
3-(1-Fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole
CID 135170509
5-Propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946119
3-Tert-butyl-5-fluoro-1,2,4-thiadiazole
CID 146378287
5-Tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 169036009
3-(2-Fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 105431652
2-Methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propanenitrile
CID 130544437

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-fluoro-1,2,4-thiadiazole?
The IUPAC name of 5-tert-butyl-3-fluoro-1,2,4-thiadiazole (CID 146378409) is 5-tert-butyl-3-fluoro-1,2,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-3-fluoro-1,2,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-3-fluoro-1,2,4-thiadiazole is CC(C)(C)c1nc(F)ns1.
What is the InChIKey of 5-tert-butyl-3-fluoro-1,2,4-thiadiazole?
The InChIKey is WTLYJDIJIJBULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S/c1-6(2,3)4-8-5(7)9-10-4/h1-3H3.
What are the key properties of 5-tert-butyl-3-fluoro-1,2,4-thiadiazole?
5-tert-butyl-3-fluoro-1,2,4-thiadiazole has a molecular weight of 160.22 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-fluoro-1,2,4-thiadiazole is sourced from PubChem (CID 146378409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).