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

C7H10FN3OS — CID 71019222

IUPAC2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide
SMILESNC(=O)Cc1cn(CCF)c(=S)[nH]1
InChIInChI=1S/C7H10FN3OS/c8-1-2-11-4-5(3-6(9)12)10-7(11)13/h4H,1-3H2,(H2,9,12)(H,10,13)
InChIKeyBPLAVOFVPHUJNO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.54
Rot. Bonds4

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

2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide (PubChem CID 71019222) has the molecular formula C7H10FN3OS and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide
PubChem CID71019222
Molecular FormulaC7H10FN3OS
Molecular Weight203.24 g/mol
Exact Mass203.05
IUPAC Name2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide
SMILESNC(=O)Cc1cn(CCF)c(=S)[nH]1
InChIInChI=1S/C7H10FN3OS/c8-1-2-11-4-5(3-6(9)12)10-7(11)13/h4H,1-3H2,(H2,9,12)(H,10,13)
InChIKeyBPLAVOFVPHUJNO-UHFFFAOYSA-N
XLogP0.54
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide?
The IUPAC name of 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide (CID 71019222) is 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide is NC(=O)Cc1cn(CCF)c(=S)[nH]1.
What is the InChIKey of 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide?
The InChIKey is BPLAVOFVPHUJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3OS/c8-1-2-11-4-5(3-6(9)12)10-7(11)13/h4H,1-3H2,(H2,9,12)(H,10,13).
What are the key properties of 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide?
2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide has a molecular weight of 203.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethyl)-2-sulfanylidene-1H-imidazol-5-yl]acetamide is sourced from PubChem (CID 71019222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).