[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C16H17FN2O2S — CID 24712818

IUPAC[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(COc2ccccc2F)n1)N1CCCCC1
InChIInChI=1S/C16H17FN2O2S/c17-12-6-2-3-7-14(12)21-10-15-18-13(11-22-15)16(20)19-8-4-1-5-9-19/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyGRPWXLRQKWJNJJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.49
Rot. Bonds4

About [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 24712818) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID24712818
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(COc2ccccc2F)n1)N1CCCCC1
InChIInChI=1S/C16H17FN2O2S/c17-12-6-2-3-7-14(12)21-10-15-18-13(11-22-15)16(20)19-8-4-1-5-9-19/h2-3,6-7,11H,1,4-5,8-10H2
InChIKeyGRPWXLRQKWJNJJ-UHFFFAOYSA-N
XLogP3.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 24712818) is [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is O=C(c1csc(COc2ccccc2F)n1)N1CCCCC1.
What is the InChIKey of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is GRPWXLRQKWJNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-12-6-2-3-7-14(12)21-10-15-18-13(11-22-15)16(20)19-8-4-1-5-9-19/h2-3,6-7,11H,1,4-5,8-10H2.
What are the key properties of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 320.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24712818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).