3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C20H22N4O3S — CID 165426020

IUPAC3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)CN3C(=O)CNC3=O)CC2)cs1
InChIInChI=1S/C20H22N4O3S/c1-14-22-16(13-28-14)20(15-5-3-2-4-6-15)7-9-23(10-8-20)18(26)12-24-17(25)11-21-19(24)27/h2-6,13H,7-12H2,1H3,(H,21,27)
InChIKeyUSIUBYCIEPZNAZ-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.91
Rot. Bonds4

About 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 165426020) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID165426020
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)CN3C(=O)CNC3=O)CC2)cs1
InChIInChI=1S/C20H22N4O3S/c1-14-22-16(13-28-14)20(15-5-3-2-4-6-15)7-9-23(10-8-20)18(26)12-24-17(25)11-21-19(24)27/h2-6,13H,7-12H2,1H3,(H,21,27)
InChIKeyUSIUBYCIEPZNAZ-UHFFFAOYSA-N
XLogP1.91
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 165419363
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
3-[2-(3-hydroxy-3-phenylpyrrolidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 90653397
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
CID 165421639
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
(2S)-2,6-diamino-1-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]hexan-1-one;dihydrochloride
CID 166600286
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one
CID 165422259
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 166600011

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 165426020) is 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1nc(C2(c3ccccc3)CCN(C(=O)CN3C(=O)CNC3=O)CC2)cs1.
What is the InChIKey of 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is USIUBYCIEPZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-22-16(13-28-14)20(15-5-3-2-4-6-15)7-9-23(10-8-20)18(26)12-24-17(25)11-21-19(24)27/h2-6,13H,7-12H2,1H3,(H,21,27).
What are the key properties of 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 398.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165426020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).