2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C27H23FN4O3S — CID 4286487

IUPAC2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O
InChIInChI=1S/C27H23FN4O3S/c1-3-27(18-7-9-19(28)10-8-18)25(34)32(26(35)31-27)15-23(33)29-20-11-5-17(6-12-20)24-30-21-13-4-16(2)14-22(21)36-24/h4-14H,3,15H2,1-2H3,(H,29,33)(H,31,35)
InChIKeyZCZICLBHEMJFJW-UHFFFAOYSA-N
MW502.57 g/mol
LogP5.21
Rot. Bonds6

About 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 4286487) has the molecular formula C27H23FN4O3S and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID4286487
Molecular FormulaC27H23FN4O3S
Molecular Weight502.57 g/mol
Exact Mass502.15
IUPAC Name2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O
InChIInChI=1S/C27H23FN4O3S/c1-3-27(18-7-9-19(28)10-8-18)25(34)32(26(35)31-27)15-23(33)29-20-11-5-17(6-12-20)24-30-21-13-4-16(2)14-22(21)36-24/h4-14H,3,15H2,1-2H3,(H,29,33)(H,31,35)
InChIKeyZCZICLBHEMJFJW-UHFFFAOYSA-N
XLogP5.21
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 55.21
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 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 4286487) is 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O.
What is the InChIKey of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is ZCZICLBHEMJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3S/c1-3-27(18-7-9-19(28)10-8-18)25(34)32(26(35)31-27)15-23(33)29-20-11-5-17(6-12-20)24-30-21-13-4-16(2)14-22(21)36-24/h4-14H,3,15H2,1-2H3,(H,29,33)(H,31,35).
What are the key properties of 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 502.57 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 4286487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).