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

C17H20N2O3S — CID 24712993

IUPAC[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1OCc1nc(C(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H20N2O3S/c1-21-14-7-3-4-8-15(14)22-11-16-18-13(12-23-16)17(20)19-9-5-2-6-10-19/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyMNKWNENNGOIOHU-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.36
Rot. Bonds5

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

[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 24712993) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID24712993
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1OCc1nc(C(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H20N2O3S/c1-21-14-7-3-4-8-15(14)22-11-16-18-13(12-23-16)17(20)19-9-5-2-6-10-19/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyMNKWNENNGOIOHU-UHFFFAOYSA-N
XLogP3.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 24712993) is [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is COc1ccccc1OCc1nc(C(=O)N2CCCCC2)cs1.
What is the InChIKey of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is MNKWNENNGOIOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-14-7-3-4-8-15(14)22-11-16-18-13(12-23-16)17(20)19-9-5-2-6-10-19/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 332.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24712993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).