N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C17H21F2N5O4S — CID 167992873

IUPACN-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1CCN(C(=O)C(F)(F)c2nccs2)CC1NC(=O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C17H21F2N5O4S/c1-10-3-5-23(15(27)17(18,19)14-20-4-6-29-14)7-11(10)21-12(25)8-24-13(26)9-22(2)16(24)28/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,21,25)
InChIKeyRVOYZPFUEDWLSS-UHFFFAOYSA-N
MW429.45 g/mol
LogP0.48
Rot. Bonds5

About N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 167992873) has the molecular formula C17H21F2N5O4S and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID167992873
Molecular FormulaC17H21F2N5O4S
Molecular Weight429.45 g/mol
Exact Mass429.13
IUPAC NameN-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1CCN(C(=O)C(F)(F)c2nccs2)CC1NC(=O)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C17H21F2N5O4S/c1-10-3-5-23(15(27)17(18,19)14-20-4-6-29-14)7-11(10)21-12(25)8-24-13(26)9-22(2)16(24)28/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,21,25)
InChIKeyRVOYZPFUEDWLSS-UHFFFAOYSA-N
XLogP0.48
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56818955
1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 56821751
5,5-dimethyl-3-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95901346
3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
CID 95901370
(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]butanoyl]-6,6-dimethyl-N-[1,1,1-trifluoro-4,5-dioxo-5-(prop-2-enylamino)pentan-3-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 89244326
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110289668
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110289669
(4,4-Difluoropyrrolidin-2-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120352047
(4,4-Difluoropyrrolidin-2-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 120352048
(4,4-Difluoropyrrolidin-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120352051
(4,4-Difluoropyrrolidin-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 120352052
1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
CID 128995029

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 167992873) is N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1CCN(C(=O)C(F)(F)c2nccs2)CC1NC(=O)CN1C(=O)CN(C)C1=O.
What is the InChIKey of N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is RVOYZPFUEDWLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O4S/c1-10-3-5-23(15(27)17(18,19)14-20-4-6-29-14)7-11(10)21-12(25)8-24-13(26)9-22(2)16(24)28/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 429.45 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-difluoro-2-(1,3-thiazol-2-yl)acetyl]-4-methylpiperidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 167992873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).