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

C16H20F2N4OS — CID 164530270

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine
SMILESNCC(c1scnc1C(F)F)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C16H20F2N4OS/c17-16(18)14-15(24-10-21-14)12(9-19)22-7-4-11(5-8-22)23-13-3-1-2-6-20-13/h1-3,6,10-12,16H,4-5,7-9,19H2
InChIKeyYRZJBZRAKHVCAN-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.02
Rot. Bonds6

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

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine (PubChem CID 164530270) has the molecular formula C16H20F2N4OS and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine
PubChem CID164530270
Molecular FormulaC16H20F2N4OS
Molecular Weight354.43 g/mol
Exact Mass354.13
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine
SMILESNCC(c1scnc1C(F)F)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C16H20F2N4OS/c17-16(18)14-15(24-10-21-14)12(9-19)22-7-4-11(5-8-22)23-13-3-1-2-6-20-13/h1-3,6,10-12,16H,4-5,7-9,19H2
InChIKeyYRZJBZRAKHVCAN-UHFFFAOYSA-N
XLogP3.02
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine (CID 164530270) is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine is NCC(c1scnc1C(F)F)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine?
The InChIKey is YRZJBZRAKHVCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4OS/c17-16(18)14-15(24-10-21-14)12(9-19)22-7-4-11(5-8-22)23-13-3-1-2-6-20-13/h1-3,6,10-12,16H,4-5,7-9,19H2.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine?
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine has a molecular weight of 354.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 164530270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).