5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione

C7H3F3N2S2 — CID 11149056

IUPAC5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione
SMILESFC(F)(F)c1ccc2[nH]c(=S)sc2n1
InChIInChI=1S/C7H3F3N2S2/c8-7(9,10)4-2-1-3-5(12-4)14-6(13)11-3/h1-2H,(H,11,13)
InChIKeyWQDJZCBGSYNZBN-UHFFFAOYSA-N
MW236.24 g/mol
LogP3.37
Rot. Bonds

About 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione

5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione (PubChem CID 11149056) has the molecular formula C7H3F3N2S2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione
PubChem CID11149056
Molecular FormulaC7H3F3N2S2
Molecular Weight236.24 g/mol
Exact Mass235.97
IUPAC Name5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione
SMILESFC(F)(F)c1ccc2[nH]c(=S)sc2n1
InChIInChI=1S/C7H3F3N2S2/c8-7(9,10)4-2-1-3-5(12-4)14-6(13)11-3/h1-2H,(H,11,13)
InChIKeyWQDJZCBGSYNZBN-UHFFFAOYSA-N
XLogP3.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione?
The IUPAC name of 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione (CID 11149056) is 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione.
What is the SMILES notation for 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione?
The canonical SMILES for 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione is FC(F)(F)c1ccc2[nH]c(=S)sc2n1.
What is the InChIKey of 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione?
The InChIKey is WQDJZCBGSYNZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2S2/c8-7(9,10)4-2-1-3-5(12-4)14-6(13)11-3/h1-2H,(H,11,13).
What are the key properties of 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione?
5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione has a molecular weight of 236.24 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-[1,3]thiazolo[5,4-b]pyridine-2-thione is sourced from PubChem (CID 11149056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).