1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone

C22H22N2O3S — CID 25121981

IUPAC1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C22H22N2O3S/c25-17-11-9-16(10-12-17)19-15-28-22(23-19)20-8-4-5-13-24(20)21(26)14-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20,25H,4-5,8,13-14H2/t20-/m1/s1
InChIKeyLHGZCIQTHRRGMJ-HXUWFJFHSA-N
MW394.50 g/mol
LogP4.65
Rot. Bonds5

About 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 25121981) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID25121981
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(O)cc2)cs1
InChIInChI=1S/C22H22N2O3S/c25-17-11-9-16(10-12-17)19-15-28-22(23-19)20-8-4-5-13-24(20)21(26)14-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20,25H,4-5,8,13-14H2/t20-/m1/s1
InChIKeyLHGZCIQTHRRGMJ-HXUWFJFHSA-N
XLogP4.65
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone (CID 25121981) is 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(O)cc2)cs1.
What is the InChIKey of 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is LHGZCIQTHRRGMJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-17-11-9-16(10-12-17)19-15-28-22(23-19)20-8-4-5-13-24(20)21(26)14-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,15,20,25H,4-5,8,13-14H2/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 394.50 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 25121981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).