2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide

C11H10FN3OS — CID 860011

IUPAC2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)9-5-14-11(15-9)17-6-10(13)16/h1-5H,6H2,(H2,13,16)(H,14,15)
InChIKeyRNOGTVKJYYGCGP-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.79
Rot. Bonds4

About 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide

2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide (PubChem CID 860011) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
PubChem CID860011
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)9-5-14-11(15-9)17-6-10(13)16/h1-5H,6H2,(H2,13,16)(H,14,15)
InChIKeyRNOGTVKJYYGCGP-UHFFFAOYSA-N
XLogP1.79
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide (CID 860011) is 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The InChIKey is RNOGTVKJYYGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)9-5-14-11(15-9)17-6-10(13)16/h1-5H,6H2,(H2,13,16)(H,14,15).
What are the key properties of 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 860011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).