N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide

C10H8F3N3O3S — CID 662714

IUPACN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESCN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O
InChIInChI=1S/C10H8F3N3O3S/c1-16-7(18)9(10(11,12)13,15-8(16)19)14-6(17)5-3-2-4-20-5/h2-4H,1H3,(H,14,17)(H,15,19)
InChIKeyDMWFDARQLGKKOJ-UHFFFAOYSA-N
MW307.25 g/mol
LogP0.92
Rot. Bonds2

About N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide

N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (PubChem CID 662714) has the molecular formula C10H8F3N3O3S and a molecular weight of 307.25 g/mol. Its IUPAC name is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
PubChem CID662714
Molecular FormulaC10H8F3N3O3S
Molecular Weight307.25 g/mol
Exact Mass307.02
IUPAC NameN-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESCN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O
InChIInChI=1S/C10H8F3N3O3S/c1-16-7(18)9(10(11,12)13,15-8(16)19)14-6(17)5-3-2-4-20-5/h2-4H,1H3,(H,14,17)(H,15,19)
InChIKeyDMWFDARQLGKKOJ-UHFFFAOYSA-N
XLogP0.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (CID 662714) is N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The InChIKey is DMWFDARQLGKKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S/c1-16-7(18)9(10(11,12)13,15-8(16)19)14-6(17)5-3-2-4-20-5/h2-4H,1H3,(H,14,17)(H,15,19).
What are the key properties of N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide has a molecular weight of 307.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 662714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).