2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole

C13H19F2N3S — CID 176759546

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole
SMILESFC1(F)CCN(c2ncc(C3CCNCC3)s2)CC1
InChIInChI=1S/C13H19F2N3S/c14-13(15)3-7-18(8-4-13)12-17-9-11(19-12)10-1-5-16-6-2-10/h9-10,16H,1-8H2
InChIKeyDLLYFJJDSKSDAI-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.85
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole

2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole (PubChem CID 176759546) has the molecular formula C13H19F2N3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole
PubChem CID176759546
Molecular FormulaC13H19F2N3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole
SMILESFC1(F)CCN(c2ncc(C3CCNCC3)s2)CC1
InChIInChI=1S/C13H19F2N3S/c14-13(15)3-7-18(8-4-13)12-17-9-11(19-12)10-1-5-16-6-2-10/h9-10,16H,1-8H2
InChIKeyDLLYFJJDSKSDAI-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole (CID 176759546) is 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole is FC1(F)CCN(c2ncc(C3CCNCC3)s2)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is DLLYFJJDSKSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3S/c14-13(15)3-7-18(8-4-13)12-17-9-11(19-12)10-1-5-16-6-2-10/h9-10,16H,1-8H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole?
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 287.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 176759546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).