(5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C17H11F3N4O2S — CID 2217204

IUPAC(5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@](Nc2nc3ccccc3s2)(C(F)(F)F)C(=O)N1c1ccccc1
InChIInChI=1S/C17H11F3N4O2S/c18-17(19,20)16(22-14-21-11-8-4-5-9-12(11)27-14)13(25)24(15(26)23-16)10-6-2-1-3-7-10/h1-9H,(H,21,22)(H,23,26)/t16-/m0/s1
InChIKeyGDZZMRRQBRFZGM-INIZCTEOSA-N
MW392.36 g/mol
LogP3.72
Rot. Bonds3

About (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione

(5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 2217204) has the molecular formula C17H11F3N4O2S and a molecular weight of 392.36 g/mol. Its IUPAC name is (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID2217204
Molecular FormulaC17H11F3N4O2S
Molecular Weight392.36 g/mol
Exact Mass392.06
IUPAC Name(5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@](Nc2nc3ccccc3s2)(C(F)(F)F)C(=O)N1c1ccccc1
InChIInChI=1S/C17H11F3N4O2S/c18-17(19,20)16(22-14-21-11-8-4-5-9-12(11)27-14)13(25)24(15(26)23-16)10-6-2-1-3-7-10/h1-9H,(H,21,22)(H,23,26)/t16-/m0/s1
InChIKeyGDZZMRRQBRFZGM-INIZCTEOSA-N
XLogP3.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-(4-fluorophenyl)-5-(pyridin-2-ylamino)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 2054495
(5S)-5-(4-methoxyanilino)-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 40844971
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79801017
(3R)-3-(1,3-benzothiazol-2-ylamino)-1-benzyl-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
CID 92651751
2-(1,3-benzothiazol-2-yl)-2,2-difluoroacetic acid
CID 71758128
5-amino-4-[(1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-hydroxyethyl]-2-phenyl-1H-pyrazol-3-one
CID 40881548
N-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 1248679
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 3828652

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 2217204) is (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is O=C1N[C@](Nc2nc3ccccc3s2)(C(F)(F)F)C(=O)N1c1ccccc1.
What is the InChIKey of (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is GDZZMRRQBRFZGM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H11F3N4O2S/c18-17(19,20)16(22-14-21-11-8-4-5-9-12(11)27-14)13(25)24(15(26)23-16)10-6-2-1-3-7-10/h1-9H,(H,21,22)(H,23,26)/t16-/m0/s1.
What are the key properties of (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
(5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 392.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,3-benzothiazol-2-ylamino)-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2217204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).