[(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone

C13H18F2N4O3S — CID 171524202

IUPAC[(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
SMILESCC1CCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C13H18F2N4O3S/c1-10-2-4-19(23(10,21)22)11-6-13(14,15)8-18(7-11)12(20)17-5-3-16-9-17/h3,5,9-11H,2,4,6-8H2,1H3/t10?,11-/m1/s1
InChIKeyJYJNJTBPZSZFHD-RRKGBCIJSA-N
MW348.38 g/mol
LogP0.98
Rot. Bonds1

About [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone

[(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone (PubChem CID 171524202) has the molecular formula C13H18F2N4O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
PubChem CID171524202
Molecular FormulaC13H18F2N4O3S
Molecular Weight348.38 g/mol
Exact Mass348.11
IUPAC Name[(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
SMILESCC1CCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)S1(=O)=O
InChIInChI=1S/C13H18F2N4O3S/c1-10-2-4-19(23(10,21)22)11-6-13(14,15)8-18(7-11)12(20)17-5-3-16-9-17/h3,5,9-11H,2,4,6-8H2,1H3/t10?,11-/m1/s1
InChIKeyJYJNJTBPZSZFHD-RRKGBCIJSA-N
XLogP0.98
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Imidazol-1-ylpiperidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 53620653
(8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-methylsulfonyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368534
2-[1-[1-[(1-Methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 138009476
1-(2,2-difluorocyclobutyl)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylmethanesulfonamide
CID 138031473
1-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazol-1-ium;trifluoromethanesulfonate
CID 167321027
[(5R)-3,3-difluoro-5-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
CID 171523840
[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone
CID 171523886
1-[(3R)-5,5-difluoro-1-(3-methylimidazol-3-ium-1-carbonyl)piperidin-3-yl]pyrrolidin-2-one
CID 171523907
[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-(3-methylimidazol-3-ium-1-yl)methanone iodide
CID 171523933
[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-(3-methylimidazol-3-ium-1-yl)methanone
CID 171523934
1-Methyl-3-(2-methylpyrrolidin-1-yl)sulfonylimidazol-1-ium;trifluoromethanesulfonate
CID 174217823
[(5R)-3,3-difluoro-5-pyrrolidin-1-ylpiperidin-1-yl]-imidazol-1-ylmethanone
CID 176023964

Frequently Asked Questions

What is the IUPAC name of [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone (CID 171524202) is [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone is CC1CCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)S1(=O)=O.
What is the InChIKey of [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is JYJNJTBPZSZFHD-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H18F2N4O3S/c1-10-2-4-19(23(10,21)22)11-6-13(14,15)8-18(7-11)12(20)17-5-3-16-9-17/h3,5,9-11H,2,4,6-8H2,1H3/t10?,11-/m1/s1.
What are the key properties of [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone?
[(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 348.38 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 171524202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).