[(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol

C10H15FN2OS — CID 70955041

IUPAC[(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESCCc1csc(N2C[C@@H](F)C[C@@H]2CO)n1
InChIInChI=1S/C10H15FN2OS/c1-2-8-6-15-10(12-8)13-4-7(11)3-9(13)5-14/h6-7,9,14H,2-5H2,1H3/t7-,9+/m0/s1
InChIKeyZXSDWBBXPCKPLQ-IONNQARKSA-N
MW230.31 g/mol
LogP1.61
Rot. Bonds3

About [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol

[(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 70955041) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID70955041
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name[(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESCCc1csc(N2C[C@@H](F)C[C@@H]2CO)n1
InChIInChI=1S/C10H15FN2OS/c1-2-8-6-15-10(12-8)13-4-7(11)3-9(13)5-14/h6-7,9,14H,2-5H2,1H3/t7-,9+/m0/s1
InChIKeyZXSDWBBXPCKPLQ-IONNQARKSA-N
XLogP1.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol (CID 70955041) is [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol is CCc1csc(N2C[C@@H](F)C[C@@H]2CO)n1.
What is the InChIKey of [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is ZXSDWBBXPCKPLQ-IONNQARKSA-N. The full InChI is InChI=1S/C10H15FN2OS/c1-2-8-6-15-10(12-8)13-4-7(11)3-9(13)5-14/h6-7,9,14H,2-5H2,1H3/t7-,9+/m0/s1.
What are the key properties of [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
[(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 230.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-(4-ethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 70955041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).