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

C3H2F3N3S — CID 20533652

IUPAC3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C3H2F3N3S/c4-3(5,6)1-8-2(7)10-9-1/h(H2,7,8,9)
InChIKeyJGALYMQIFVSEGP-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.14
Rot. Bonds

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

3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 20533652) has the molecular formula C3H2F3N3S and a molecular weight of 169.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID20533652
Molecular FormulaC3H2F3N3S
Molecular Weight169.13 g/mol
Exact Mass168.99
IUPAC Name3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C3H2F3N3S/c4-3(5,6)1-8-2(7)10-9-1/h(H2,7,8,9)
InChIKeyJGALYMQIFVSEGP-UHFFFAOYSA-N
XLogP1.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 20533652) is 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JGALYMQIFVSEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3N3S/c4-3(5,6)1-8-2(7)10-9-1/h(H2,7,8,9).
What are the key properties of 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 169.13 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 20533652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).