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

C8H5F3N4S2 — CID 15942966

IUPAC5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Sc2ncccc2C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4S2/c9-8(10,11)4-2-1-3-13-5(4)16-7-15-14-6(12)17-7/h1-3H,(H2,12,14)
InChIKeyBAIDJTAXRVVEDV-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.69
Rot. Bonds2

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

5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 15942966) has the molecular formula C8H5F3N4S2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID15942966
Molecular FormulaC8H5F3N4S2
Molecular Weight278.28 g/mol
Exact Mass277.99
IUPAC Name5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Sc2ncccc2C(F)(F)F)s1
InChIInChI=1S/C8H5F3N4S2/c9-8(10,11)4-2-1-3-13-5(4)16-7-15-14-6(12)17-7/h1-3H,(H2,12,14)
InChIKeyBAIDJTAXRVVEDV-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-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine (CID 15942966) is 5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(Sc2ncccc2C(F)(F)F)s1.
What is the InChIKey of 5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BAIDJTAXRVVEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4S2/c9-8(10,11)4-2-1-3-13-5(4)16-7-15-14-6(12)17-7/h1-3H,(H2,12,14).
What are the key properties of 5-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine?
5-[[3-(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-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 15942966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).