5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione

C8H8FN2S2+ — CID 19374644

IUPAC5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione
SMILESFCC[n+]1ccc2sc(=S)[nH]c2c1
InChIInChI=1S/C8H7FN2S2/c9-2-4-11-3-1-7-6(5-11)10-8(12)13-7/h1,3,5H,2,4H2/p+1
InChIKeyQMXIHBLJKHQGCR-UHFFFAOYSA-O
MW215.30 g/mol
LogP2.22
Rot. Bonds2

About 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione

5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione (PubChem CID 19374644) has the molecular formula C8H8FN2S2+ and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione.

Molecular Properties

Compound Name5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione
PubChem CID19374644
Molecular FormulaC8H8FN2S2+
Molecular Weight215.30 g/mol
Exact Mass215.01
IUPAC Name5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione
SMILESFCC[n+]1ccc2sc(=S)[nH]c2c1
InChIInChI=1S/C8H7FN2S2/c9-2-4-11-3-1-7-6(5-11)10-8(12)13-7/h1,3,5H,2,4H2/p+1
InChIKeyQMXIHBLJKHQGCR-UHFFFAOYSA-O
XLogP2.22
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione?
The IUPAC name of 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione (CID 19374644) is 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione.
What is the SMILES notation for 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione?
The canonical SMILES for 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione is FCC[n+]1ccc2sc(=S)[nH]c2c1.
What is the InChIKey of 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione?
The InChIKey is QMXIHBLJKHQGCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7FN2S2/c9-2-4-11-3-1-7-6(5-11)10-8(12)13-7/h1,3,5H,2,4H2/p+1.
What are the key properties of 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione?
5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione has a molecular weight of 215.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-3H-[1,3]thiazolo[4,5-c]pyridin-5-ium-2-thione is sourced from PubChem (CID 19374644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).