N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide

C12H12FN3OS — CID 685436

IUPACN-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide
SMILESCSc1nccn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3OS/c1-18-12-14-6-7-16(12)8-11(17)15-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,15,17)
InChIKeyUNAYJKADFPPVKJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.38
Rot. Bonds4

About N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide

N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide (PubChem CID 685436) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide
PubChem CID685436
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide
SMILESCSc1nccn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3OS/c1-18-12-14-6-7-16(12)8-11(17)15-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,15,17)
InChIKeyUNAYJKADFPPVKJ-UHFFFAOYSA-N
XLogP2.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide (CID 685436) is N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide is CSc1nccn1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide?
The InChIKey is UNAYJKADFPPVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-18-12-14-6-7-16(12)8-11(17)15-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide?
N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-methylsulfanylimidazol-1-yl)acetamide is sourced from PubChem (CID 685436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).