5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole

C8H3ClF3N3S2 — CID 102716365

IUPAC5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1cc(Cl)nc(Sc2ncns2)c1
InChIInChI=1S/C8H3ClF3N3S2/c9-5-1-4(8(10,11)12)2-6(15-5)16-7-13-3-14-17-7/h1-3H
InChIKeyJGRSTLSKXMLGBR-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.76
Rot. Bonds2

About 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole

5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole (PubChem CID 102716365) has the molecular formula C8H3ClF3N3S2 and a molecular weight of 297.71 g/mol. Its IUPAC name is 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole
PubChem CID102716365
Molecular FormulaC8H3ClF3N3S2
Molecular Weight297.71 g/mol
Exact Mass296.94
IUPAC Name5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1cc(Cl)nc(Sc2ncns2)c1
InChIInChI=1S/C8H3ClF3N3S2/c9-5-1-4(8(10,11)12)2-6(15-5)16-7-13-3-14-17-7/h1-3H
InChIKeyJGRSTLSKXMLGBR-UHFFFAOYSA-N
XLogP3.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole?
The IUPAC name of 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole (CID 102716365) is 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole is FC(F)(F)c1cc(Cl)nc(Sc2ncns2)c1.
What is the InChIKey of 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole?
The InChIKey is JGRSTLSKXMLGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3N3S2/c9-5-1-4(8(10,11)12)2-6(15-5)16-7-13-3-14-17-7/h1-3H.
What are the key properties of 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole?
5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole has a molecular weight of 297.71 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102716365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).