N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C16H21N5O5S2 — CID 126850994

IUPACN-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)s1
InChIInChI=1S/C16H21N5O5S2/c1-10(22)18-15-17-8-14(27-15)28(25,26)19-6-4-11(5-7-19)20-9-13(23)21(16(20)24)12-2-3-12/h8,11-12H,2-7,9H2,1H3,(H,17,18,22)
InChIKeyAQNYPZWWUVIQRY-UHFFFAOYSA-N
MW427.51 g/mol
LogP0.68
Rot. Bonds5

About N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 126850994) has the molecular formula C16H21N5O5S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID126850994
Molecular FormulaC16H21N5O5S2
Molecular Weight427.51 g/mol
Exact Mass427.10
IUPAC NameN-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)s1
InChIInChI=1S/C16H21N5O5S2/c1-10(22)18-15-17-8-14(27-15)28(25,26)19-6-4-11(5-7-19)20-9-13(23)21(16(20)24)12-2-3-12/h8,11-12H,2-7,9H2,1H3,(H,17,18,22)
InChIKeyAQNYPZWWUVIQRY-UHFFFAOYSA-N
XLogP0.68
TPSA119.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 42560676
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CID 87602795
N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 154581936
N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 27242370
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 42560681
N-[5-(cyclopropylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 90480612
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
N-[5-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122267205
N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
CID 122329642
N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122338917
N-[5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122346057
N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122339410

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 126850994) is N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)s1.
What is the InChIKey of N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is AQNYPZWWUVIQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O5S2/c1-10(22)18-15-17-8-14(27-15)28(25,26)19-6-4-11(5-7-19)20-9-13(23)21(16(20)24)12-2-3-12/h8,11-12H,2-7,9H2,1H3,(H,17,18,22).
What are the key properties of N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 427.51 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 126850994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).