3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

C18H19F2N3O2S — CID 86992162

IUPAC3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)cs1
InChIInChI=1S/C18H19F2N3O2S/c1-17(2,3)14-21-11(9-26-14)8-23-15(24)18(4,22-16(23)25)12-7-10(19)5-6-13(12)20/h5-7,9H,8H2,1-4H3,(H,22,25)
InChIKeyAWSLHOLVLAHXHF-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.69
Rot. Bonds3

About 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 86992162) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID86992162
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1nc(CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)cs1
InChIInChI=1S/C18H19F2N3O2S/c1-17(2,3)14-21-11(9-26-14)8-23-15(24)18(4,22-16(23)25)12-7-10(19)5-6-13(12)20/h5-7,9H,8H2,1-4H3,(H,22,25)
InChIKeyAWSLHOLVLAHXHF-UHFFFAOYSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-difluorophenyl)-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55529112
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 78879100
3-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(2,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 138994625
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
3-[(4-bromo-2-fluorophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 55374656
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7562098
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 27687466
5-(2,5-difluorophenyl)-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 46815559
5-(2,5-difluorophenyl)-3-(5-hydroxypentyl)-5-methylimidazolidine-2,4-dione
CID 111469955
3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43029260
5-(2,5-difluorophenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 46824039

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione (CID 86992162) is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is CC(C)(C)c1nc(CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)cs1.
What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is AWSLHOLVLAHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c1-17(2,3)14-21-11(9-26-14)8-23-15(24)18(4,22-16(23)25)12-7-10(19)5-6-13(12)20/h5-7,9H,8H2,1-4H3,(H,22,25).
What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 379.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 86992162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).