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

C21H21N3O3S — CID 18146081

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H21N3O3S/c25-19(13-17-14-28-20(23-17)15-5-2-1-3-6-15)22-16-8-10-24(11-9-16)21(26)18-7-4-12-27-18/h1-7,12,14,16H,8-11,13H2,(H,22,25)
InChIKeyLSXACUPBLJVQOI-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.37
Rot. Bonds5

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

N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 18146081) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID18146081
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H21N3O3S/c25-19(13-17-14-28-20(23-17)15-5-2-1-3-6-15)22-16-8-10-24(11-9-16)21(26)18-7-4-12-27-18/h1-7,12,14,16H,8-11,13H2,(H,22,25)
InChIKeyLSXACUPBLJVQOI-UHFFFAOYSA-N
XLogP3.37
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080929
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 46525194
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211
N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55655382
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-nitrophenyl)acetamide
CID 16606697
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18144349
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17498127
N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38199475
1-(furan-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973347

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 18146081) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LSXACUPBLJVQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-19(13-17-14-28-20(23-17)15-5-2-1-3-6-15)22-16-8-10-24(11-9-16)21(26)18-7-4-12-27-18/h1-7,12,14,16H,8-11,13H2,(H,22,25).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 18146081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).