(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione

C17H23N5O3S — CID 98260827

IUPAC(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(C2CCN(C(=O)CC3=CSC4=NCCN34)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H23N5O3S/c1-2-17(14(24)19-15(25)20-17)11-3-6-21(7-4-11)13(23)9-12-10-26-16-18-5-8-22(12)16/h10-11H,2-9H2,1H3,(H2,19,20,24,25)/t17-/m1/s1
InChIKeyHJFUJILMGKTQLH-QGZVFWFLSA-N
MW377.47 g/mol
LogP0.86
Rot. Bonds4

About (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione

(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione (PubChem CID 98260827) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
PubChem CID98260827
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(C2CCN(C(=O)CC3=CSC4=NCCN34)CC2)NC(=O)NC1=O
InChIInChI=1S/C17H23N5O3S/c1-2-17(14(24)19-15(25)20-17)11-3-6-21(7-4-11)13(23)9-12-10-26-16-18-5-8-22(12)16/h10-11H,2-9H2,1H3,(H2,19,20,24,25)/t17-/m1/s1
InChIKeyHJFUJILMGKTQLH-QGZVFWFLSA-N
XLogP0.86
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 56740245
5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56721489
N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95209374
(5S)-5-ethyl-5-[1-(3-methylpyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 95211410
(5R)-5-ethyl-5-[1-[2-(2-ethylimidazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95198121
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]ethanone
CID 70765016
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 118771094
(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95209324
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)ethanone
CID 108810064
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 98371643
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108810128
(5R)-5-cyclohexyl-5-ethylimidazolidine-2,4-dione
CID 92532345

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione (CID 98260827) is (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione is CC[C@]1(C2CCN(C(=O)CC3=CSC4=NCCN34)CC2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione?
The InChIKey is HJFUJILMGKTQLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-2-17(14(24)19-15(25)20-17)11-3-6-21(7-4-11)13(23)9-12-10-26-16-18-5-8-22(12)16/h10-11H,2-9H2,1H3,(H2,19,20,24,25)/t17-/m1/s1.
What are the key properties of (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione?
(5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione has a molecular weight of 377.47 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 98260827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).