5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid

C8H9FN2O2S — CID 118027097

IUPAC5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(s1)CN(CF)CC2
InChIInChI=1S/C8H9FN2O2S/c9-4-11-2-1-5-6(3-11)14-7(10-5)8(12)13/h1-4H2,(H,12,13)
InChIKeyKJZUXIKKIXSBND-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.13
Rot. Bonds2

About 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid

5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (PubChem CID 118027097) has the molecular formula C8H9FN2O2S and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
PubChem CID118027097
Molecular FormulaC8H9FN2O2S
Molecular Weight216.24 g/mol
Exact Mass216.04
IUPAC Name5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(s1)CN(CF)CC2
InChIInChI=1S/C8H9FN2O2S/c9-4-11-2-1-5-6(3-11)14-7(10-5)8(12)13/h1-4H2,(H,12,13)
InChIKeyKJZUXIKKIXSBND-UHFFFAOYSA-N
XLogP1.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (CID 118027097) is 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is O=C(O)c1nc2c(s1)CN(CF)CC2.
What is the InChIKey of 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The InChIKey is KJZUXIKKIXSBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2S/c9-4-11-2-1-5-6(3-11)14-7(10-5)8(12)13/h1-4H2,(H,12,13).
What are the key properties of 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 118027097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).