N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide

C19H21F2N3O2S — CID 71841986

IUPACN-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1csc(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C19H21F2N3O2S/c1-12(25)22-7-4-15-11-27-18(23-15)13-5-8-24(9-6-13)19(26)14-2-3-16(20)17(21)10-14/h2-3,10-11,13H,4-9H2,1H3,(H,22,25)
InChIKeyGZTVTDJCOHQVBZ-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.12
Rot. Bonds5

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

N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 71841986) has the molecular formula C19H21F2N3O2S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID71841986
Molecular FormulaC19H21F2N3O2S
Molecular Weight393.46 g/mol
Exact Mass393.13
IUPAC NameN-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1csc(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1
InChIInChI=1S/C19H21F2N3O2S/c1-12(25)22-7-4-15-11-27-18(23-15)13-5-8-24(9-6-13)19(26)14-2-3-16(20)17(21)10-14/h2-3,10-11,13H,4-9H2,1H3,(H,22,25)
InChIKeyGZTVTDJCOHQVBZ-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 71841879
N-[2-[2-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 71841963
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-benzylpiperidine-1-carboxamide
CID 53149528
N-[2-[2-[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097266
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 53149526
N-[2-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841895
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841902
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841888
N-[[2-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842221
N-(2-fluorophenyl)-4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 53149546

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 71841986) is N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide is CC(=O)NCCc1csc(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1.
What is the InChIKey of N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is GZTVTDJCOHQVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2S/c1-12(25)22-7-4-15-11-27-18(23-15)13-5-8-24(9-6-13)19(26)14-2-3-16(20)17(21)10-14/h2-3,10-11,13H,4-9H2,1H3,(H,22,25).
What are the key properties of N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 393.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 71841986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).