3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione

C16H18N4O2S — CID 2800798

IUPAC3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)C1c1ccccc1
InChIInChI=1S/C16H18N4O2S/c1-16(2,3)13-17-18-14(23-13)20-12(21)11(19(4)15(20)22)10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChIKeyLDUZEERSZDZCMD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.98
Rot. Bonds2

About 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione

3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 2800798) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID2800798
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)C1c1ccccc1
InChIInChI=1S/C16H18N4O2S/c1-16(2,3)13-17-18-14(23-13)20-12(21)11(19(4)15(20)22)10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChIKeyLDUZEERSZDZCMD-UHFFFAOYSA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione (CID 2800798) is 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione is CN1C(=O)N(c2nnc(C(C)(C)C)s2)C(=O)C1c1ccccc1.
What is the InChIKey of 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is LDUZEERSZDZCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-16(2,3)13-17-18-14(23-13)20-12(21)11(19(4)15(20)22)10-8-6-5-7-9-10/h5-9,11H,1-4H3.
What are the key properties of 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione?
3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 330.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2800798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).