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

C6H9FN2S — CID 146378287

IUPAC3-tert-butyl-5-fluoro-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(F)n1
InChIInChI=1S/C6H9FN2S/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3
InChIKeyFNWVEHHLCJWNJR-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.97
Rot. Bonds

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

3-tert-butyl-5-fluoro-1,2,4-thiadiazole (PubChem CID 146378287) has the molecular formula C6H9FN2S and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-tert-butyl-5-fluoro-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-fluoro-1,2,4-thiadiazole
PubChem CID146378287
Molecular FormulaC6H9FN2S
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name3-tert-butyl-5-fluoro-1,2,4-thiadiazole
SMILESCC(C)(C)c1nsc(F)n1
InChIInChI=1S/C6H9FN2S/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3
InChIKeyFNWVEHHLCJWNJR-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-Chloro-3-ethyl-1,2,4-thiadiazole
CID 14763517
3,5-Ditert-butyl-1,2,4-thiadiazole
CID 12846881
3-Tert-butyl-1,2,4-thiadiazol-5-amine
CID 21688990
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432
3-Ethyl-5-fluoro-1,2,4-thiadiazole
CID 123276911
5-Tert-butyl-3-fluoro-1,2,4-thiadiazole
CID 146378409
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237
3-(2-Fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 105431652
5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole
CID 12874683
3-Tert-butyl-5-chloro-1,2,4-thiadiazole
CID 13193083
5-Chloro-3-(2,2-dimethylpropyl)-1,2,4-thiadiazole
CID 57742931
3-Tert-butyl-5-methyl-1,2,4-thiadiazole
CID 59125550

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-fluoro-1,2,4-thiadiazole?
The IUPAC name of 3-tert-butyl-5-fluoro-1,2,4-thiadiazole (CID 146378287) is 3-tert-butyl-5-fluoro-1,2,4-thiadiazole.
What is the SMILES notation for 3-tert-butyl-5-fluoro-1,2,4-thiadiazole?
The canonical SMILES for 3-tert-butyl-5-fluoro-1,2,4-thiadiazole is CC(C)(C)c1nsc(F)n1.
What is the InChIKey of 3-tert-butyl-5-fluoro-1,2,4-thiadiazole?
The InChIKey is FNWVEHHLCJWNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3.
What are the key properties of 3-tert-butyl-5-fluoro-1,2,4-thiadiazole?
3-tert-butyl-5-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 3-tert-butyl-5-fluoro-1,2,4-thiadiazole is sourced from PubChem (CID 146378287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).