2-(2-phenylimidazol-1-yl)ethanethioamide

C11H11N3S — CID 61069936

IUPAC2-(2-phenylimidazol-1-yl)ethanethioamide
SMILESNC(=S)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C11H11N3S/c12-10(15)8-14-7-6-13-11(14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,15)
InChIKeyUUVBUAFBRJMZNO-UHFFFAOYSA-N
MW217.30 g/mol
LogP1.84
Rot. Bonds3

About 2-(2-phenylimidazol-1-yl)ethanethioamide

2-(2-phenylimidazol-1-yl)ethanethioamide (PubChem CID 61069936) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-(2-phenylimidazol-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2-phenylimidazol-1-yl)ethanethioamide
PubChem CID61069936
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-(2-phenylimidazol-1-yl)ethanethioamide
SMILESNC(=S)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C11H11N3S/c12-10(15)8-14-7-6-13-11(14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,15)
InChIKeyUUVBUAFBRJMZNO-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-phenylimidazol-1-yl)ethanethioamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-phenylimidazol-1-yl)butanethioamide
CID 61069569
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide
CID 106746348
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
1-(2,2-dimethylpropyl)-2-phenylimidazole
CID 21060212
2-methyl-3-(2-phenylimidazol-1-yl)propanimidamide
CID 61071225
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
CID 61071787
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimidazol-1-yl)ethanethioamide?
The IUPAC name of 2-(2-phenylimidazol-1-yl)ethanethioamide (CID 61069936) is 2-(2-phenylimidazol-1-yl)ethanethioamide.
What is the SMILES notation for 2-(2-phenylimidazol-1-yl)ethanethioamide?
The canonical SMILES for 2-(2-phenylimidazol-1-yl)ethanethioamide is NC(=S)Cn1ccnc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylimidazol-1-yl)ethanethioamide?
The InChIKey is UUVBUAFBRJMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c12-10(15)8-14-7-6-13-11(14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,15).
What are the key properties of 2-(2-phenylimidazol-1-yl)ethanethioamide?
2-(2-phenylimidazol-1-yl)ethanethioamide has a molecular weight of 217.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazol-1-yl)ethanethioamide is sourced from PubChem (CID 61069936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).