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

C8H5F3N4S2 — CID 11837142

IUPAC5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Sc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C8H5F3N4S2/c9-8(10,11)4-1-2-5(13-3-4)16-7-15-14-6(12)17-7/h1-3H,(H2,12,14)
InChIKeyPIZALXRMOQWHPW-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.69
Rot. Bonds2

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

5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 11837142) has the molecular formula C8H5F3N4S2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID11837142
Molecular FormulaC8H5F3N4S2
Molecular Weight278.28 g/mol
Exact Mass277.99
IUPAC Name5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Sc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C8H5F3N4S2/c9-8(10,11)4-1-2-5(13-3-4)16-7-15-14-6(12)17-7/h1-3H,(H2,12,14)
InChIKeyPIZALXRMOQWHPW-UHFFFAOYSA-N
XLogP2.69
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine (CID 11837142) is 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(Sc2ccc(C(F)(F)F)cn2)s1.
What is the InChIKey of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PIZALXRMOQWHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4S2/c9-8(10,11)4-1-2-5(13-3-4)16-7-15-14-6(12)17-7/h1-3H,(H2,12,14).
What are the key properties of 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 278.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 11837142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).