2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

C24H25N3O3S — CID 30183028

IUPAC2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C24H25N3O3S/c28-22(26-24-25-20(17-31-24)15-27-13-5-2-6-14-27)16-30-21-11-9-19(10-12-21)23(29)18-7-3-1-4-8-18/h1,3-4,7-12,17H,2,5-6,13-16H2,(H,25,26,28)
InChIKeyPBWGLSIZBDHDSN-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.38
Rot. Bonds8

About 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 30183028) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID30183028
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C24H25N3O3S/c28-22(26-24-25-20(17-31-24)15-27-13-5-2-6-14-27)16-30-21-11-9-19(10-12-21)23(29)18-7-3-1-4-8-18/h1,3-4,7-12,17H,2,5-6,13-16H2,(H,25,26,28)
InChIKeyPBWGLSIZBDHDSN-UHFFFAOYSA-N
XLogP4.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 30182868
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183318
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 112761744
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55490000
2-(5-methoxy-2-pyridinyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 122132280
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
2-(4-acetylphenoxy)-N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 25485196
3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 167983152
2-(4-benzoylphenoxy)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 16547135

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 30183028) is 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PBWGLSIZBDHDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-22(26-24-25-20(17-31-24)15-27-13-5-2-6-14-27)16-30-21-11-9-19(10-12-21)23(29)18-7-3-1-4-8-18/h1,3-4,7-12,17H,2,5-6,13-16H2,(H,25,26,28).
What are the key properties of 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 30183028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).