3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

C8H5F3N4OS — CID 155230831

IUPAC3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccc(OC(F)(F)F)cn2)ns1
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)16-4-1-2-5(13-3-4)6-14-7(12)17-15-6/h1-3H,(H2,12,14,15)
InChIKeyLFTDTFLUHXFHIO-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.08
Rot. Bonds2

About 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (PubChem CID 155230831) has the molecular formula C8H5F3N4OS and a molecular weight of 262.22 g/mol. Its IUPAC name is 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
PubChem CID155230831
Molecular FormulaC8H5F3N4OS
Molecular Weight262.22 g/mol
Exact Mass262.01
IUPAC Name3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccc(OC(F)(F)F)cn2)ns1
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)16-4-1-2-5(13-3-4)6-14-7(12)17-15-6/h1-3H,(H2,12,14,15)
InChIKeyLFTDTFLUHXFHIO-UHFFFAOYSA-N
XLogP2.08
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-3-amine
CID 114281005
3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine
CID 171572565
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
5-(trifluoromethoxy)pyrimidin-2-amine
CID 138532683
4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine
CID 178127406
2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 141271002
2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
CID 146439449
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
5-(chloromethyl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 22229305
2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202664
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole
CID 169162789

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (CID 155230831) is 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is Nc1nc(-c2ccc(OC(F)(F)F)cn2)ns1.
What is the InChIKey of 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LFTDTFLUHXFHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS/c9-8(10,11)16-4-1-2-5(13-3-4)6-14-7(12)17-15-6/h1-3H,(H2,12,14,15).
What are the key properties of 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 262.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).