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

C7H10FN3OS — CID 131176737

IUPAC[3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
SMILESOCC1(F)CCN(c2ncns2)C1
InChIInChI=1S/C7H10FN3OS/c8-7(4-12)1-2-11(3-7)6-9-5-10-13-6/h5,12H,1-4H2
InChIKeyLLRZQSNZTKGEFD-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.45
Rot. Bonds2

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

[3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol (PubChem CID 131176737) has the molecular formula C7H10FN3OS and a molecular weight of 203.24 g/mol. Its IUPAC name is [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
PubChem CID131176737
Molecular FormulaC7H10FN3OS
Molecular Weight203.24 g/mol
Exact Mass203.05
IUPAC Name[3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
SMILESOCC1(F)CCN(c2ncns2)C1
InChIInChI=1S/C7H10FN3OS/c8-7(4-12)1-2-11(3-7)6-9-5-10-13-6/h5,12H,1-4H2
InChIKeyLLRZQSNZTKGEFD-UHFFFAOYSA-N
XLogP0.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol (CID 131176737) is [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol is OCC1(F)CCN(c2ncns2)C1.
What is the InChIKey of [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
The InChIKey is LLRZQSNZTKGEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3OS/c8-7(4-12)1-2-11(3-7)6-9-5-10-13-6/h5,12H,1-4H2.
What are the key properties of [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol?
[3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 131176737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).