2-(1H-imidazol-2-ylsulfanyl)acetamide

C5H7N3OS — CID 21441477

IUPAC2-(1H-imidazol-2-ylsulfanyl)acetamide
SMILESNC(=O)CSc1ncc[nH]1
InChIInChI=1S/C5H7N3OS/c6-4(9)3-10-5-7-1-2-8-5/h1-2H,3H2,(H2,6,9)(H,7,8)
InChIKeyBCLFVUHEULDLCD-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.01
Rot. Bonds3

About 2-(1H-imidazol-2-ylsulfanyl)acetamide

2-(1H-imidazol-2-ylsulfanyl)acetamide (PubChem CID 21441477) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanyl)acetamide
PubChem CID21441477
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name2-(1H-imidazol-2-ylsulfanyl)acetamide
SMILESNC(=O)CSc1ncc[nH]1
InChIInChI=1S/C5H7N3OS/c6-4(9)3-10-5-7-1-2-8-5/h1-2H,3H2,(H2,6,9)(H,7,8)
InChIKeyBCLFVUHEULDLCD-UHFFFAOYSA-N
XLogP-0.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1H-imidazol-2-ylsulfanyl)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-(1H-imidazol-2-ylsulfanyl)acetamide?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanyl)acetamide (CID 21441477) is 2-(1H-imidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanyl)acetamide is NC(=O)CSc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanyl)acetamide?
The InChIKey is BCLFVUHEULDLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c6-4(9)3-10-5-7-1-2-8-5/h1-2H,3H2,(H2,6,9)(H,7,8).
What are the key properties of 2-(1H-imidazol-2-ylsulfanyl)acetamide?
2-(1H-imidazol-2-ylsulfanyl)acetamide has a molecular weight of 157.20 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 21441477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).