2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

C20H23F2N3O2S — CID 55841850

IUPAC2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)sc1C
InChIInChI=1S/C20H23F2N3O2S/c1-3-17-12(2)28-20(23-17)24-18(26)11-25-8-6-13(7-9-25)19(27)15-10-14(21)4-5-16(15)22/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,23,24,26)
InChIKeyMUGNKTIIPXRGKF-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 55841850) has the molecular formula C20H23F2N3O2S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID55841850
Molecular FormulaC20H23F2N3O2S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)sc1C
InChIInChI=1S/C20H23F2N3O2S/c1-3-17-12(2)28-20(23-17)24-18(26)11-25-8-6-13(7-9-25)19(27)15-10-14(21)4-5-16(15)22/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,23,24,26)
InChIKeyMUGNKTIIPXRGKF-UHFFFAOYSA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60508249
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 112840462
N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-(2-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841846
N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55738197
N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55842103
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104524
2-[4-[2-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60505092
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
CID 55739387
2-[3-(carbamoylamino)pyrrolidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 75435699
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
(2,5-difluorophenyl)-[1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-4-yl]methanone
CID 55860707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (CID 55841850) is 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is CCc1nc(NC(=O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)sc1C.
What is the InChIKey of 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MUGNKTIIPXRGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2S/c1-3-17-12(2)28-20(23-17)24-18(26)11-25-8-6-13(7-9-25)19(27)15-10-14(21)4-5-16(15)22/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 407.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 55841850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).