5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione

C15H22N4O2S — CID 167903123

IUPAC5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione
SMILESCCc1nc(CN2CCCC(C3(C)NC(=O)NC3=O)C2)cs1
InChIInChI=1S/C15H22N4O2S/c1-3-12-16-11(9-22-12)8-19-6-4-5-10(7-19)15(2)13(20)17-14(21)18-15/h9-10H,3-8H2,1-2H3,(H2,17,18,20,21)
InChIKeyJVPPKJNQUYICOF-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.52
Rot. Bonds4

About 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione

5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 167903123) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione
PubChem CID167903123
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione
SMILESCCc1nc(CN2CCCC(C3(C)NC(=O)NC3=O)C2)cs1
InChIInChI=1S/C15H22N4O2S/c1-3-12-16-11(9-22-12)8-19-6-4-5-10(7-19)15(2)13(20)17-14(21)18-15/h9-10H,3-8H2,1-2H3,(H2,17,18,20,21)
InChIKeyJVPPKJNQUYICOF-UHFFFAOYSA-N
XLogP1.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.52
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

(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
(5S)-5-methyl-5-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 95780966
(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
(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
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
2-[(3R)-3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-N-propylacetamide
CID 95780857
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 126781884
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
(5R)-5-[(3R)-1-[(1R)-cyclohex-2-en-1-yl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione
CID 95780849

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione (CID 167903123) is 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione is CCc1nc(CN2CCCC(C3(C)NC(=O)NC3=O)C2)cs1.
What is the InChIKey of 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JVPPKJNQUYICOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-3-12-16-11(9-22-12)8-19-6-4-5-10(7-19)15(2)13(20)17-14(21)18-15/h9-10H,3-8H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione?
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 322.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 167903123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).