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

C24H30N4O3S — CID 45165550

IUPAC5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C24H30N4O3S/c1-4-24(22(30)28(23(31)26-24)14-11-20-17(3)25-15-32-20)18-9-12-27(13-10-18)21(29)19-8-6-5-7-16(19)2/h5-8,15,18H,4,9-14H2,1-3H3,(H,26,31)
InChIKeyXEMXXZUIZUVRCT-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.56
Rot. Bonds6

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

5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 45165550) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
PubChem CID45165550
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C24H30N4O3S/c1-4-24(22(30)28(23(31)26-24)14-11-20-17(3)25-15-32-20)18-9-12-27(13-10-18)21(29)19-8-6-5-7-16(19)2/h5-8,15,18H,4,9-14H2,1-3H3,(H,26,31)
InChIKeyXEMXXZUIZUVRCT-UHFFFAOYSA-N
XLogP3.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.56
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

5-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45165780
(5R)-5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 42340375
5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45166025
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45165952
(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42373238
(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 26279744
5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 154903046
(5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 42238307
5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45193207
5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45179778
(5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42276807
(5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 25291890

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (CID 45165550) is 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is CCC1(C2CCN(C(=O)c3ccccc3C)CC2)NC(=O)N(CCc2scnc2C)C1=O.
What is the InChIKey of 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is XEMXXZUIZUVRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-4-24(22(30)28(23(31)26-24)14-11-20-17(3)25-15-32-20)18-9-12-27(13-10-18)21(29)19-8-6-5-7-16(19)2/h5-8,15,18H,4,9-14H2,1-3H3,(H,26,31).
What are the key properties of 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 454.60 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45165550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).