1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone

C18H22N2O2S — CID 22893123

IUPAC1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2csc(C3CCN(CCO)CC3)n2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(22)14-2-4-15(5-3-14)17-12-23-18(19-17)16-6-8-20(9-7-16)10-11-21/h2-5,12,16,21H,6-11H2,1H3
InChIKeyXZSJRKPTJXAUMF-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.18
Rot. Bonds5

About 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone

1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone (PubChem CID 22893123) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone
PubChem CID22893123
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2csc(C3CCN(CCO)CC3)n2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(22)14-2-4-15(5-3-14)17-12-23-18(19-17)16-6-8-20(9-7-16)10-11-21/h2-5,12,16,21H,6-11H2,1H3
InChIKeyXZSJRKPTJXAUMF-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone (CID 22893123) is 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone is CC(=O)c1ccc(-c2csc(C3CCN(CCO)CC3)n2)cc1.
What is the InChIKey of 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone?
The InChIKey is XZSJRKPTJXAUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(22)14-2-4-15(5-3-14)17-12-23-18(19-17)16-6-8-20(9-7-16)10-11-21/h2-5,12,16,21H,6-11H2,1H3.
What are the key properties of 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone?
1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone has a molecular weight of 330.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 22893123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).