[(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol

C9H13FN2OS — CID 167971237

IUPAC[(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1cncs1
InChIInChI=1S/C9H13FN2OS/c10-7-1-8(5-13)12(3-7)4-9-2-11-6-14-9/h2,6-8,13H,1,3-5H2/t7-,8-/m0/s1
InChIKeyMDJKKBZBDGROOE-YUMQZZPRSA-N
MW216.28 g/mol
LogP1.05
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 167971237) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID167971237
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name[(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1cncs1
InChIInChI=1S/C9H13FN2OS/c10-7-1-8(5-13)12(3-7)4-9-2-11-6-14-9/h2,6-8,13H,1,3-5H2/t7-,8-/m0/s1
InChIKeyMDJKKBZBDGROOE-YUMQZZPRSA-N
XLogP1.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol (CID 167971237) is [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1Cc1cncs1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is MDJKKBZBDGROOE-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H13FN2OS/c10-7-1-8(5-13)12(3-7)4-9-2-11-6-14-9/h2,6-8,13H,1,3-5H2/t7-,8-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167971237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).