(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide

C7H9FN4OS — CID 59436422

IUPAC(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ncns1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C7H9FN4OS/c8-4-1-5(9-2-4)6(13)12-7-10-3-11-14-7/h3-5,9H,1-2H2,(H,10,11,12,13)/t4-,5+/m1/s1
InChIKeyVAFGXUFOMMGARU-UHNVWZDZSA-N
MW216.24 g/mol
LogP0.18
Rot. Bonds2

About (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 59436422) has the molecular formula C7H9FN4OS and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID59436422
Molecular FormulaC7H9FN4OS
Molecular Weight216.24 g/mol
Exact Mass216.05
IUPAC Name(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ncns1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C7H9FN4OS/c8-4-1-5(9-2-4)6(13)12-7-10-3-11-14-7/h3-5,9H,1-2H2,(H,10,11,12,13)/t4-,5+/m1/s1
InChIKeyVAFGXUFOMMGARU-UHNVWZDZSA-N
XLogP0.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (CID 59436422) is (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ncns1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is VAFGXUFOMMGARU-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H9FN4OS/c8-4-1-5(9-2-4)6(13)12-7-10-3-11-14-7/h3-5,9H,1-2H2,(H,10,11,12,13)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 59436422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).