(2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide

C8H10FN3O2S — CID 59436460

IUPAC(2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ncc(F)s1)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C8H10FN3O2S/c9-6-3-11-8(15-6)12-7(14)5-1-4(13)2-10-5/h3-5,10,13H,1-2H2,(H,11,12,14)/t4-,5-/m0/s1
InChIKeyKUVXTUXUJKTFJC-WHFBIAKZSA-N
MW231.25 g/mol
LogP-0.06
Rot. Bonds2

About (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 59436460) has the molecular formula C8H10FN3O2S and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID59436460
Molecular FormulaC8H10FN3O2S
Molecular Weight231.25 g/mol
Exact Mass231.05
IUPAC Name(2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ncc(F)s1)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C8H10FN3O2S/c9-6-3-11-8(15-6)12-7(14)5-1-4(13)2-10-5/h3-5,10,13H,1-2H2,(H,11,12,14)/t4-,5-/m0/s1
InChIKeyKUVXTUXUJKTFJC-WHFBIAKZSA-N
XLogP-0.06
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide (CID 59436460) is (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1ncc(F)s1)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is KUVXTUXUJKTFJC-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H10FN3O2S/c9-6-3-11-8(15-6)12-7(14)5-1-4(13)2-10-5/h3-5,10,13H,1-2H2,(H,11,12,14)/t4-,5-/m0/s1.
What are the key properties of (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(5-fluoro-1,3-thiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 59436460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).