4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione

C11H14N2S2 — CID 81335070

IUPAC4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione
SMILESCCC(c1cccs1)n1c(C)c[nH]c1=S
InChIInChI=1S/C11H14N2S2/c1-3-9(10-5-4-6-15-10)13-8(2)7-12-11(13)14/h4-7,9H,3H2,1-2H3,(H,12,14)
InChIKeyZRIQQLYYQXXMPY-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.92
Rot. Bonds3

About 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione

4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione (PubChem CID 81335070) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione
PubChem CID81335070
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione
SMILESCCC(c1cccs1)n1c(C)c[nH]c1=S
InChIInChI=1S/C11H14N2S2/c1-3-9(10-5-4-6-15-10)13-8(2)7-12-11(13)14/h4-7,9H,3H2,1-2H3,(H,12,14)
InChIKeyZRIQQLYYQXXMPY-UHFFFAOYSA-N
XLogP3.92
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-(1-thiophen-2-ylpropyl)-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-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
CID 81336128
4-phenyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
CID 63548855
2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82773786
4-tert-butyl-3-(1-thiophen-2-ylpropan-2-yl)-1H-imidazole-2-thione
CID 81335805
7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione
CID 63546020
3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64924954
5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64948011
2,5,5-trimethyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64946281
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]piperazine
CID 66202216
2-[(1R)-1-iodopropyl]thiophene
CID 142234064
N,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54976100
1-ethyl-3-methyl-6-(1-thiophen-2-ylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79304844

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione (CID 81335070) is 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione is CCC(c1cccs1)n1c(C)c[nH]c1=S.
What is the InChIKey of 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione?
The InChIKey is ZRIQQLYYQXXMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-3-9(10-5-4-6-15-10)13-8(2)7-12-11(13)14/h4-7,9H,3H2,1-2H3,(H,12,14).
What are the key properties of 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione?
4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione has a molecular weight of 238.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).