2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide

C9H14FN3OS — CID 71019228

IUPAC2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide
SMILESCCc1c(CC(N)=O)[nH]c(=S)n1CCF
InChIInChI=1S/C9H14FN3OS/c1-2-7-6(5-8(11)14)12-9(15)13(7)4-3-10/h2-5H2,1H3,(H2,11,14)(H,12,15)
InChIKeyYHALHQYSGLXJAQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide

2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide (PubChem CID 71019228) has the molecular formula C9H14FN3OS and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide
PubChem CID71019228
Molecular FormulaC9H14FN3OS
Molecular Weight231.30 g/mol
Exact Mass231.08
IUPAC Name2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide
SMILESCCc1c(CC(N)=O)[nH]c(=S)n1CCF
InChIInChI=1S/C9H14FN3OS/c1-2-7-6(5-8(11)14)12-9(15)13(7)4-3-10/h2-5H2,1H3,(H2,11,14)(H,12,15)
InChIKeyYHALHQYSGLXJAQ-UHFFFAOYSA-N
XLogP1.11
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide?
The IUPAC name of 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide (CID 71019228) is 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide?
The canonical SMILES for 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide is CCc1c(CC(N)=O)[nH]c(=S)n1CCF.
What is the InChIKey of 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide?
The InChIKey is YHALHQYSGLXJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3OS/c1-2-7-6(5-8(11)14)12-9(15)13(7)4-3-10/h2-5H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide?
2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide has a molecular weight of 231.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide is sourced from PubChem (CID 71019228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).