2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine

C16H22F2N4O2S — CID 164530257

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine
SMILESCc1cc(COC2CCN(C(CN)c3scnc3C(F)F)CC2)no1
InChIInChI=1S/C16H22F2N4O2S/c1-10-6-11(21-24-10)8-23-12-2-4-22(5-3-12)13(7-19)15-14(16(17)18)20-9-25-15/h6,9,12-13,16H,2-5,7-8,19H2,1H3
InChIKeyOLSVHZVZXKSZNG-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.06
Rot. Bonds7

About 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine (PubChem CID 164530257) has the molecular formula C16H22F2N4O2S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine
PubChem CID164530257
Molecular FormulaC16H22F2N4O2S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine
SMILESCc1cc(COC2CCN(C(CN)c3scnc3C(F)F)CC2)no1
InChIInChI=1S/C16H22F2N4O2S/c1-10-6-11(21-24-10)8-23-12-2-4-22(5-3-12)13(7-19)15-14(16(17)18)20-9-25-15/h6,9,12-13,16H,2-5,7-8,19H2,1H3
InChIKeyOLSVHZVZXKSZNG-UHFFFAOYSA-N
XLogP3.06
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.06
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-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine (CID 164530257) is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine is Cc1cc(COC2CCN(C(CN)c3scnc3C(F)F)CC2)no1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine?
The InChIKey is OLSVHZVZXKSZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2S/c1-10-6-11(21-24-10)8-23-12-2-4-22(5-3-12)13(7-19)15-14(16(17)18)20-9-25-15/h6,9,12-13,16H,2-5,7-8,19H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine?
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine has a molecular weight of 372.44 g/mol, XLogP of 3.06, 7 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-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine is sourced from PubChem (CID 164530257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).