N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide

C22H23N3O4S — CID 78898097

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)Nc3nc(-c4ccco4)cs3)CC2)cc1
InChIInChI=1S/C22H23N3O4S/c1-28-17-6-4-15(5-7-17)21(27)16-8-10-25(11-9-16)13-20(26)24-22-23-18(14-30-22)19-3-2-12-29-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,23,24,26)
InChIKeyMPUPVHUQNBLACF-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.95
Rot. Bonds7

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

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide (PubChem CID 78898097) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
PubChem CID78898097
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)Nc3nc(-c4ccco4)cs3)CC2)cc1
InChIInChI=1S/C22H23N3O4S/c1-28-17-6-4-15(5-7-17)21(27)16-8-10-25(11-9-16)13-20(26)24-22-23-18(14-30-22)19-3-2-12-29-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,23,24,26)
InChIKeyMPUPVHUQNBLACF-UHFFFAOYSA-N
XLogP3.95
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975
methyl 4-[[2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetyl]amino]benzoate;oxalic acid
CID 71780572
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide
CID 126816767
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 78896987
N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide
CID 16605979
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 23144422
2-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 112842683
2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 24594067
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 959115
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide
CID 23144713
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 46558789

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide (CID 78898097) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide is COc1ccc(C(=O)C2CCN(CC(=O)Nc3nc(-c4ccco4)cs3)CC2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
The InChIKey is MPUPVHUQNBLACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-28-17-6-4-15(5-7-17)21(27)16-8-10-25(11-9-16)13-20(26)24-22-23-18(14-30-22)19-3-2-12-29-19/h2-7,12,14,16H,8-11,13H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 78898097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).