(5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione

C17H20N4O2S — CID 164630251

IUPAC(5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nncs3)C2=O)cc1
InChIInChI=1S/C17H20N4O2S/c1-16(2,3)11-5-7-12(8-6-11)17(4)14(22)21(15(23)19-17)9-13-20-18-10-24-13/h5-8,10H,9H2,1-4H3,(H,19,23)/t17-/m1/s1
InChIKeyWLXRXYTWWUBTRO-QGZVFWFLSA-N
MW344.44 g/mol
LogP2.80
Rot. Bonds3

About (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione

(5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 164630251) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID164630251
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nncs3)C2=O)cc1
InChIInChI=1S/C17H20N4O2S/c1-16(2,3)11-5-7-12(8-6-11)17(4)14(22)21(15(23)19-17)9-13-20-18-10-24-13/h5-8,10H,9H2,1-4H3,(H,19,23)/t17-/m1/s1
InChIKeyWLXRXYTWWUBTRO-QGZVFWFLSA-N
XLogP2.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
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-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione (CID 164630251) is (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione is CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nncs3)C2=O)cc1.
What is the InChIKey of (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is WLXRXYTWWUBTRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-16(2,3)11-5-7-12(8-6-11)17(4)14(22)21(15(23)19-17)9-13-20-18-10-24-13/h5-8,10H,9H2,1-4H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione?
(5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 344.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-tert-butylphenyl)-5-methyl-3-(1,3,4-thiadiazol-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 164630251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).