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

C12H13FN4OS — CID 164634550

IUPAC[(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol
SMILESOC[C@]1(F)CCN(c2nnc(-c3ccccn3)s2)C1
InChIInChI=1S/C12H13FN4OS/c13-12(8-18)4-6-17(7-12)11-16-15-10(19-11)9-3-1-2-5-14-9/h1-3,5,18H,4,6-8H2/t12-/m0/s1
InChIKeyOZOZRRIMSCMICF-LBPRGKRZSA-N
MW280.33 g/mol
LogP1.51
Rot. Bonds3

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

[(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 164634550) has the molecular formula C12H13FN4OS and a molecular weight of 280.33 g/mol. Its IUPAC name is [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol
PubChem CID164634550
Molecular FormulaC12H13FN4OS
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC Name[(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol
SMILESOC[C@]1(F)CCN(c2nnc(-c3ccccn3)s2)C1
InChIInChI=1S/C12H13FN4OS/c13-12(8-18)4-6-17(7-12)11-16-15-10(19-11)9-3-1-2-5-14-9/h1-3,5,18H,4,6-8H2/t12-/m0/s1
InChIKeyOZOZRRIMSCMICF-LBPRGKRZSA-N
XLogP1.51
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol (CID 164634550) is [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol is OC[C@]1(F)CCN(c2nnc(-c3ccccn3)s2)C1.
What is the InChIKey of [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is OZOZRRIMSCMICF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13FN4OS/c13-12(8-18)4-6-17(7-12)11-16-15-10(19-11)9-3-1-2-5-14-9/h1-3,5,18H,4,6-8H2/t12-/m0/s1.
What are the key properties of [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol?
[(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 280.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoro-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 164634550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).