3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione

C14H14N2S2 — CID 65473955

IUPAC3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1-c1ccc2sccc2c1
InChIInChI=1S/C14H14N2S2/c1-9(2)12-8-15-14(17)16(12)11-3-4-13-10(7-11)5-6-18-13/h3-9H,1-2H3,(H,15,17)
InChIKeyVOLKBDXQIMATPS-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.87
Rot. Bonds2

About 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione

3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 65473955) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID65473955
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1-c1ccc2sccc2c1
InChIInChI=1S/C14H14N2S2/c1-9(2)12-8-15-14(17)16(12)11-3-4-13-10(7-11)5-6-18-13/h3-9H,1-2H3,(H,15,17)
InChIKeyVOLKBDXQIMATPS-UHFFFAOYSA-N
XLogP4.87
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione 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-(1-benzothiophen-5-yl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 65473939
3-(1-benzothiophen-5-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 60706801
1-(1-benzothiophen-5-yl)piperazine-2,5-dione
CID 65451527
3-(2,6-dimethylphenyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64865679
4-(1-benzothiophen-5-yl)-3-tert-butyl-5-chloro-1,2,4-triazole
CID 65474770
1-[1-(1-benzothiophen-5-yl)triazol-4-yl]ethanamine
CID 114419361
3-(2-chloro-4,6-difluorophenyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 83088250
(1R)-1-(1-benzothiophen-5-yl)ethanamine
CID 131094683
3-(1,3-benzothiazol-6-yl)-4-ethyl-1H-imidazole-2-thione
CID 107806447
1-(1-benzothiophen-5-yl)-6-methylpiperazine-2,5-dione
CID 65452340
3-(1-benzothiophen-5-yl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79278127
4-propan-2-yl-3-[2-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 64865289

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione (CID 65473955) is 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1-c1ccc2sccc2c1.
What is the InChIKey of 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is VOLKBDXQIMATPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-9(2)12-8-15-14(17)16(12)11-3-4-13-10(7-11)5-6-18-13/h3-9H,1-2H3,(H,15,17).
What are the key properties of 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione?
3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 274.41 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-5-yl)-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 65473955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).