[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C11H15FN2O2S — CID 131889571

IUPAC[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2C[C@@H](O)[C@H](F)C2)cs1
InChIInChI=1S/C11H15FN2O2S/c1-2-3-10-13-8(6-17-10)11(16)14-4-7(12)9(15)5-14/h6-7,9,15H,2-5H2,1H3/t7-,9-/m1/s1
InChIKeyPXBKFXRPXNYLJK-VXNVDRBHSA-N
MW258.32 g/mol
LogP1.25
Rot. Bonds3

About [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 131889571) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID131889571
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2C[C@@H](O)[C@H](F)C2)cs1
InChIInChI=1S/C11H15FN2O2S/c1-2-3-10-13-8(6-17-10)11(16)14-4-7(12)9(15)5-14/h6-7,9,15H,2-5H2,1H3/t7-,9-/m1/s1
InChIKeyPXBKFXRPXNYLJK-VXNVDRBHSA-N
XLogP1.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 131889571) is [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2C[C@@H](O)[C@H](F)C2)cs1.
What is the InChIKey of [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is PXBKFXRPXNYLJK-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-2-3-10-13-8(6-17-10)11(16)14-4-7(12)9(15)5-14/h6-7,9,15H,2-5H2,1H3/t7-,9-/m1/s1.
What are the key properties of [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131889571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).