2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine

C15H19F2N5OS — CID 164530326

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine
SMILESNCC(c1scnc1C(F)F)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H19F2N5OS/c16-14(17)12-13(24-9-21-12)11(8-18)22-6-2-10(3-7-22)23-15-19-4-1-5-20-15/h1,4-5,9-11,14H,2-3,6-8,18H2
InChIKeyZBPAHRYJAYTVTE-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine (PubChem CID 164530326) has the molecular formula C15H19F2N5OS and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine
PubChem CID164530326
Molecular FormulaC15H19F2N5OS
Molecular Weight355.41 g/mol
Exact Mass355.13
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine
SMILESNCC(c1scnc1C(F)F)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H19F2N5OS/c16-14(17)12-13(24-9-21-12)11(8-18)22-6-2-10(3-7-22)23-15-19-4-1-5-20-15/h1,4-5,9-11,14H,2-3,6-8,18H2
InChIKeyZBPAHRYJAYTVTE-UHFFFAOYSA-N
XLogP2.41
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine (CID 164530326) is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine is NCC(c1scnc1C(F)F)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine?
The InChIKey is ZBPAHRYJAYTVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5OS/c16-14(17)12-13(24-9-21-12)11(8-18)22-6-2-10(3-7-22)23-15-19-4-1-5-20-15/h1,4-5,9-11,14H,2-3,6-8,18H2.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine?
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine has a molecular weight of 355.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 164530326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).