2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide

C20H24N4O3S — CID 110223656

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)NC2(C#Cc3nccs3)CCCCC2)C1=O
InChIInChI=1S/C20H24N4O3S/c1-19(14-5-6-14)17(26)24(18(27)23-19)13-15(25)22-20(8-3-2-4-9-20)10-7-16-21-11-12-28-16/h11-12,14H,2-6,8-9,13H2,1H3,(H,22,25)(H,23,27)
InChIKeyPCMINYDXIODQID-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.03
Rot. Bonds4

About 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide (PubChem CID 110223656) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide
PubChem CID110223656
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)NC2(C#Cc3nccs3)CCCCC2)C1=O
InChIInChI=1S/C20H24N4O3S/c1-19(14-5-6-14)17(26)24(18(27)23-19)13-15(25)22-20(8-3-2-4-9-20)10-7-16-21-11-12-28-16/h11-12,14H,2-6,8-9,13H2,1H3,(H,22,25)(H,23,27)
InChIKeyPCMINYDXIODQID-UHFFFAOYSA-N
XLogP2.03
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide
CID 96531842
N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8576444
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7618766
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7618772
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424782
N-(1-cyanocyclopentyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823027
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 78791485
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-iodophenyl)acetamide
CID 16557019
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31710027
N-(2-cyanophenyl)-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8760806

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide (CID 110223656) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide is CC1(C2CC2)NC(=O)N(CC(=O)NC2(C#Cc3nccs3)CCCCC2)C1=O.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide?
The InChIKey is PCMINYDXIODQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-19(14-5-6-14)17(26)24(18(27)23-19)13-15(25)22-20(8-3-2-4-9-20)10-7-16-21-11-12-28-16/h11-12,14H,2-6,8-9,13H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[2-(1,3-thiazol-2-yl)ethynyl]cyclohexyl]acetamide is sourced from PubChem (CID 110223656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).