(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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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).