N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C18H22F2N4O2S — CID 18136674

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nccs2)CC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H22F2N4O2S/c19-17(20)26-15-3-1-14(2-4-15)5-6-21-16(25)13-23-8-10-24(11-9-23)18-22-7-12-27-18/h1-4,7,12,17H,5-6,8-11,13H2,(H,21,25)
InChIKeyGWVZVSNRRUXINK-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.23
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 18136674) has the molecular formula C18H22F2N4O2S and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID18136674
Molecular FormulaC18H22F2N4O2S
Molecular Weight396.46 g/mol
Exact Mass396.14
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nccs2)CC1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H22F2N4O2S/c19-17(20)26-15-3-1-14(2-4-15)5-6-21-16(25)13-23-8-10-24(11-9-23)18-22-7-12-27-18/h1-4,7,12,17H,5-6,8-11,13H2,(H,21,25)
InChIKeyGWVZVSNRRUXINK-UHFFFAOYSA-N
XLogP2.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136677
ethyl 4-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetyl]amino]butanoate
CID 86915626
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26574095
1-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121569
4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one
CID 51338359
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 87012622
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120774996
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 18136674) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2nccs2)CC1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is GWVZVSNRRUXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2S/c19-17(20)26-15-3-1-14(2-4-15)5-6-21-16(25)13-23-8-10-24(11-9-23)18-22-7-12-27-18/h1-4,7,12,17H,5-6,8-11,13H2,(H,21,25).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 396.46 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18136674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).