2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone

C17H17ClN2O2S — CID 16670267

IUPAC2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(c1nccs1)C1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN2O2S/c18-14-4-2-1-3-13(14)11-15(21)20-8-5-12(6-9-20)16(22)17-19-7-10-23-17/h1-4,7,10,12H,5-6,8-9,11H2
InChIKeyUAFBERKHRHYZHO-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 16670267) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
PubChem CID16670267
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(c1nccs1)C1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H17ClN2O2S/c18-14-4-2-1-3-13(14)11-15(21)20-8-5-12(6-9-20)16(22)17-19-7-10-23-17/h1-4,7,10,12H,5-6,8-9,11H2
InChIKeyUAFBERKHRHYZHO-UHFFFAOYSA-N
XLogP3.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone (CID 16670267) is 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone is O=C(c1nccs1)C1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is UAFBERKHRHYZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c18-14-4-2-1-3-13(14)11-15(21)20-8-5-12(6-9-20)16(22)17-19-7-10-23-17/h1-4,7,10,12H,5-6,8-9,11H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 348.86 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(1,3-thiazole-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 16670267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).