(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione

C16H24N4O2S — CID 98768253

IUPAC(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)c1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cs1
InChIInChI=1S/C16H24N4O2S/c1-10(2)13-17-12(9-23-13)8-20-6-4-5-11(7-20)16(3)14(21)18-15(22)19-16/h9-11H,4-8H2,1-3H3,(H2,18,19,21,22)/t11-,16+/m1/s1
InChIKeyNGLNTFSGJLVTOO-BZNIZROVSA-N
MW336.46 g/mol
LogP2.08
Rot. Bonds4

About (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 98768253) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID98768253
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)c1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cs1
InChIInChI=1S/C16H24N4O2S/c1-10(2)13-17-12(9-23-13)8-20-6-4-5-11(7-20)16(3)14(21)18-15(22)19-16/h9-11H,4-8H2,1-3H3,(H2,18,19,21,22)/t11-,16+/m1/s1
InChIKeyNGLNTFSGJLVTOO-BZNIZROVSA-N
XLogP2.08
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione
CID 167903123
(5R)-5-methyl-5-[(3S)-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780978
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
(5R)-5-methyl-5-[(3R)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780847
(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780966
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
5-methyl-5-[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56713229
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
CID 61487353
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione (CID 98768253) is (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione is CC(C)c1nc(CN2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)cs1.
What is the InChIKey of (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is NGLNTFSGJLVTOO-BZNIZROVSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-10(2)13-17-12(9-23-13)8-20-6-4-5-11(7-20)16(3)14(21)18-15(22)19-16/h9-11H,4-8H2,1-3H3,(H2,18,19,21,22)/t11-,16+/m1/s1.
What are the key properties of (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 336.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 98768253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).