3-(fluoromethyl)-1,2,4-thiadiazol-5-amine

C3H4FN3S — CID 105427719

IUPAC3-(fluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CF)ns1
InChIInChI=1S/C3H4FN3S/c4-1-2-6-3(5)8-7-2/h1H2,(H2,5,6,7)
InChIKeyGPQXPBKZCOEKGS-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.59
Rot. Bonds1

About 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine

3-(fluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 105427719) has the molecular formula C3H4FN3S and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID105427719
Molecular FormulaC3H4FN3S
Molecular Weight133.15 g/mol
Exact Mass133.01
IUPAC Name3-(fluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CF)ns1
InChIInChI=1S/C3H4FN3S/c4-1-2-6-3(5)8-7-2/h1H2,(H2,5,6,7)
InChIKeyGPQXPBKZCOEKGS-UHFFFAOYSA-N
XLogP0.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 20533652
5-Amino-3-methyl-1,2,4-thiadiazole
CID 350639
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
3-(Difluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105429510
5-Chloro-3-(fluoromethyl)-1,2,4-thiadiazole
CID 53762538
3-(3,3,3-Trifluoro-propyl)-[1,2,4]thiadiazol-5-ylamine
CID 66898934
5-Fluoro-3-methyl-1,2,4-thiadiazole
CID 68382243
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237
3-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 61392887
3-(2-Fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 105431652
3-(1,1-Difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 105432589
[3-(3,3,3-Trifluoropropyl)-1,2,4-thiadiazol-5-yl]azanide
CID 157930821

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine (CID 105427719) is 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine is Nc1nc(CF)ns1.
What is the InChIKey of 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GPQXPBKZCOEKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3S/c4-1-2-6-3(5)8-7-2/h1H2,(H2,5,6,7).
What are the key properties of 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine?
3-(fluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 133.15 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 105427719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).