(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone

C13H17F2N3OS — CID 165434670

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2nccs2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H17F2N3OS/c14-13(15)2-6-17(7-3-13)11(19)10-1-5-18(9-10)12-16-4-8-20-12/h4,8,10H,1-3,5-7,9H2
InChIKeyREDITGKVSRRARR-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.23
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone (PubChem CID 165434670) has the molecular formula C13H17F2N3OS and a molecular weight of 301.36 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
PubChem CID165434670
Molecular FormulaC13H17F2N3OS
Molecular Weight301.36 g/mol
Exact Mass301.11
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(c2nccs2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H17F2N3OS/c14-13(15)2-6-17(7-3-13)11(19)10-1-5-18(9-10)12-16-4-8-20-12/h4,8,10H,1-3,5-7,9H2
InChIKeyREDITGKVSRRARR-UHFFFAOYSA-N
XLogP2.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone (CID 165434670) is (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone is O=C(C1CCN(c2nccs2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone?
The InChIKey is REDITGKVSRRARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3OS/c14-13(15)2-6-17(7-3-13)11(19)10-1-5-18(9-10)12-16-4-8-20-12/h4,8,10H,1-3,5-7,9H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone has a molecular weight of 301.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165434670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).