N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C19H18N6O3S — CID 102556248

IUPACN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCCC1(C)NC(=O)N(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C1=O
InChIInChI=1S/C19H18N6O3S/c1-3-19(2)17(27)25(18(28)21-19)23-16(26)14-20-15(13-10-7-11-29-13)24(22-14)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3,(H,21,28)(H,23,26)
InChIKeyRHLZURVXMXEDRN-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.36
Rot. Bonds5

About N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 102556248) has the molecular formula C19H18N6O3S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID102556248
Molecular FormulaC19H18N6O3S
Molecular Weight410.46 g/mol
Exact Mass410.12
IUPAC NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCCC1(C)NC(=O)N(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C1=O
InChIInChI=1S/C19H18N6O3S/c1-3-19(2)17(27)25(18(28)21-19)23-16(26)14-20-15(13-10-7-11-29-13)24(22-14)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3,(H,21,28)(H,23,26)
InChIKeyRHLZURVXMXEDRN-UHFFFAOYSA-N
XLogP2.36
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 99809348
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 40897872
1-(4-fluorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 42092673
N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 48503702
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 86825664
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619
N-[(2-ethoxy-4-pyridinyl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55707504
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 18145886
N'-[2-(4-methylanilino)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505843
4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 51476599
N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505919

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 102556248) is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is CCC1(C)NC(=O)N(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C1=O.
What is the InChIKey of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is RHLZURVXMXEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S/c1-3-19(2)17(27)25(18(28)21-19)23-16(26)14-20-15(13-10-7-11-29-13)24(22-14)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3,(H,21,28)(H,23,26).
What are the key properties of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 102556248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).