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

C9H13FN2OS — CID 126792267

IUPAC[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1nccs1
InChIInChI=1S/C9H13FN2OS/c10-7-3-8(6-13)12(4-7)5-9-11-1-2-14-9/h1-2,7-8,13H,3-6H2/t7-,8-/m0/s1
InChIKeyBRCXRNQEHJSFET-YUMQZZPRSA-N
MW216.28 g/mol
LogP1.05
Rot. Bonds3

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

[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 126792267) 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-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID126792267
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1nccs1
InChIInChI=1S/C9H13FN2OS/c10-7-3-8(6-13)12(4-7)5-9-11-1-2-14-9/h1-2,7-8,13H,3-6H2/t7-,8-/m0/s1
InChIKeyBRCXRNQEHJSFET-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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Related Compounds

(3S*,4S*)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
CID 74245068
(1-(Thiazol-2-yl)pyrrolidin-2-yl)methanol
CID 19013442
2-[(1-Methylpyrrolidin-2-yl)methoxy]-1,3-thiazole
CID 21851890
[(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 54064354
2-(1-methyl-2-(S)-pyrrolidinylmethoxy)-thiazole
CID 54271048
[(2S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidin-2-yl]methanol
CID 58328500
1-Methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
CID 67481605
1-Ethyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
CID 67481609
5-Piperidin-1-yl-5-(1,3-thiazol-2-yl)pentan-1-ol
CID 68381747
4-Piperidin-1-yl-4-(1,3-thiazol-2-yl)butan-1-ol
CID 68381815
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride
CID 70083466
(3R)-1-(1-(Thiazol-2-yl)ethyl)pyrrolidin-3-ol
CID 60137552

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 126792267) is [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1Cc1nccs1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is BRCXRNQEHJSFET-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H13FN2OS/c10-7-3-8(6-13)12(4-7)5-9-11-1-2-14-9/h1-2,7-8,13H,3-6H2/t7-,8-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-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-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 126792267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).