(3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

C13H18F2N2O2S — CID 138027178

IUPAC(3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)Cc1ncc(C(=O)N2CC(O)CC(F)(F)C2)s1
InChIInChI=1S/C13H18F2N2O2S/c1-8(2)3-11-16-5-10(20-11)12(19)17-6-9(18)4-13(14,15)7-17/h5,8-9,18H,3-4,6-7H2,1-2H3
InChIKeyFTOBOLALENDCGL-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.18
Rot. Bonds3

About (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

(3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone (PubChem CID 138027178) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
PubChem CID138027178
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name(3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)Cc1ncc(C(=O)N2CC(O)CC(F)(F)C2)s1
InChIInChI=1S/C13H18F2N2O2S/c1-8(2)3-11-16-5-10(20-11)12(19)17-6-9(18)4-13(14,15)7-17/h5,8-9,18H,3-4,6-7H2,1-2H3
InChIKeyFTOBOLALENDCGL-UHFFFAOYSA-N
XLogP2.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone (CID 138027178) is (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone is CC(C)Cc1ncc(C(=O)N2CC(O)CC(F)(F)C2)s1.
What is the InChIKey of (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is FTOBOLALENDCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-8(2)3-11-16-5-10(20-11)12(19)17-6-9(18)4-13(14,15)7-17/h5,8-9,18H,3-4,6-7H2,1-2H3.
What are the key properties of (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone?
(3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 304.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 138027178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).