1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C10H12FN3O3S — CID 119259386

IUPAC1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCCc1nnsc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H12FN3O3S/c1-2-6-7(18-13-12-6)8(15)14-4-3-10(11,5-14)9(16)17/h2-5H2,1H3,(H,16,17)
InChIKeyZJRLGKFFGCZPOH-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.74
Rot. Bonds3

About 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259386) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259386
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCCc1nnsc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C10H12FN3O3S/c1-2-6-7(18-13-12-6)8(15)14-4-3-10(11,5-14)9(16)17/h2-5H2,1H3,(H,16,17)
InChIKeyZJRLGKFFGCZPOH-UHFFFAOYSA-N
XLogP0.74
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119259386) is 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is CCc1nnsc1C(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is ZJRLGKFFGCZPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3S/c1-2-6-7(18-13-12-6)8(15)14-4-3-10(11,5-14)9(16)17/h2-5H2,1H3,(H,16,17).
What are the key properties of 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazole-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).