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

C12H16F2N4O3S — CID 171523886

IUPAC[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1C[C@H](N2CCCS2(=O)=O)CC(F)(F)C1)n1ccnc1
InChIInChI=1S/C12H16F2N4O3S/c13-12(14)6-10(18-3-1-5-22(18,20)21)7-17(8-12)11(19)16-4-2-15-9-16/h2,4,9-10H,1,3,5-8H2/t10-/m1/s1
InChIKeyPBWUBHGTSQXHNW-SNVBAGLBSA-N
MW334.35 g/mol
LogP0.60
Rot. Bonds1

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

[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone (PubChem CID 171523886) has the molecular formula C12H16F2N4O3S and a molecular weight of 334.35 g/mol. Its IUPAC name is [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone
PubChem CID171523886
Molecular FormulaC12H16F2N4O3S
Molecular Weight334.35 g/mol
Exact Mass334.09
IUPAC Name[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1C[C@H](N2CCCS2(=O)=O)CC(F)(F)C1)n1ccnc1
InChIInChI=1S/C12H16F2N4O3S/c13-12(14)6-10(18-3-1-5-22(18,20)21)7-17(8-12)11(19)16-4-2-15-9-16/h2,4,9-10H,1,3,5-8H2/t10-/m1/s1
InChIKeyPBWUBHGTSQXHNW-SNVBAGLBSA-N
XLogP0.60
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.60
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
2-[1-[1-[(1-Methylimidazol-2-yl)methyl]piperidin-2-yl]ethyl]-1,2-thiazolidine 1,1-dioxide
CID 138009476
[(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]-(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-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]pyrrolidin-2-one
CID 171523955
1-[5,5-Difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]pyrrolidin-2-one
CID 171524033
[(5R)-3,3-difluoro-5-(5-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-imidazol-1-ylmethanone
CID 171524202
[(5R)-3,3-difluoro-5-pyrrolidin-1-ylpiperidin-1-yl]-imidazol-1-ylmethanone
CID 176023964
[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methanesulfonamide
CID 56790706
2-(2-Imidazol-1-ylethyl)-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 70771674
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
CID 78898575

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone (CID 171523886) is [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone is O=C(N1C[C@H](N2CCCS2(=O)=O)CC(F)(F)C1)n1ccnc1.
What is the InChIKey of [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is PBWUBHGTSQXHNW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16F2N4O3S/c13-12(14)6-10(18-3-1-5-22(18,20)21)7-17(8-12)11(19)16-4-2-15-9-16/h2,4,9-10H,1,3,5-8H2/t10-/m1/s1.
What are the key properties of [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone?
[(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 334.35 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-difluoropiperidin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 171523886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).