4-ethyl-5-(fluoromethyl)thiadiazole

C5H7FN2S — CID 141237802

IUPAC4-ethyl-5-(fluoromethyl)thiadiazole
SMILESCCc1nnsc1CF
InChIInChI=1S/C5H7FN2S/c1-2-4-5(3-6)9-8-7-4/h2-3H2,1H3
InChIKeyDDWBDNCHNCPUGT-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.57
Rot. Bonds2

About 4-ethyl-5-(fluoromethyl)thiadiazole

4-ethyl-5-(fluoromethyl)thiadiazole (PubChem CID 141237802) has the molecular formula C5H7FN2S and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-ethyl-5-(fluoromethyl)thiadiazole.

Molecular Properties

Compound Name4-ethyl-5-(fluoromethyl)thiadiazole
PubChem CID141237802
Molecular FormulaC5H7FN2S
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name4-ethyl-5-(fluoromethyl)thiadiazole
SMILESCCc1nnsc1CF
InChIInChI=1S/C5H7FN2S/c1-2-4-5(3-6)9-8-7-4/h2-3H2,1H3
InChIKeyDDWBDNCHNCPUGT-UHFFFAOYSA-N
XLogP1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Bromoethyl)-4-methyl-1,2,3-thiadiazole
CID 12679020
4-Tert-butyl-5-methylthiadiazole
CID 12552709
5-(Fluoromethyl)-4-methylthiadiazole
CID 141237810
4-(Fluoromethyl)-5-methylthiadiazole
CID 141237826
5-Ethyl-4-(fluoromethyl)thiadiazole
CID 141237842
5-Ethyl-4-methylthiadiazole
CID 12679017
4-Methyl-5-propylthiadiazole
CID 12913685
5-(1-Bromoethyl)-4-(difluoromethyl)-1,2,3-thiadiazole
CID 165791852
4-Ethyl-5-methylthiadiazole
CID 12679016
4-(1-Chloroethyl)-5-methylthiadiazole
CID 12913706
5-(Chloromethyl)-4-ethylthiadiazole
CID 12913707
(E)-1-(4-methylthiadiazol-5-yl)ethylidenehydrazine
CID 20717870

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(fluoromethyl)thiadiazole?
The IUPAC name of 4-ethyl-5-(fluoromethyl)thiadiazole (CID 141237802) is 4-ethyl-5-(fluoromethyl)thiadiazole.
What is the SMILES notation for 4-ethyl-5-(fluoromethyl)thiadiazole?
The canonical SMILES for 4-ethyl-5-(fluoromethyl)thiadiazole is CCc1nnsc1CF.
What is the InChIKey of 4-ethyl-5-(fluoromethyl)thiadiazole?
The InChIKey is DDWBDNCHNCPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S/c1-2-4-5(3-6)9-8-7-4/h2-3H2,1H3.
What are the key properties of 4-ethyl-5-(fluoromethyl)thiadiazole?
4-ethyl-5-(fluoromethyl)thiadiazole has a molecular weight of 146.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(fluoromethyl)thiadiazole is sourced from PubChem (CID 141237802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).