3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione

C10H16N2S — CID 79362499

IUPAC3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
SMILESCC1(C)C(n2cc[nH]c2=S)C1(C)C
InChIInChI=1S/C10H16N2S/c1-9(2)7(10(9,3)4)12-6-5-11-8(12)13/h5-7H,1-4H3,(H,11,13)
InChIKeyRVLFMUZMNGCXPD-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.15
Rot. Bonds1

About 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione

3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione (PubChem CID 79362499) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
PubChem CID79362499
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
SMILESCC1(C)C(n2cc[nH]c2=S)C1(C)C
InChIInChI=1S/C10H16N2S/c1-9(2)7(10(9,3)4)12-6-5-11-8(12)13/h5-7H,1-4H3,(H,11,13)
InChIKeyRVLFMUZMNGCXPD-UHFFFAOYSA-N
XLogP3.15
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,2,3,3-tetramethylcyclopropyl)-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

3-(3-methylpentan-2-yl)-1H-imidazole-2-thione
CID 61463657
3-(2-methylpentan-3-yl)-1H-imidazole-2-thione
CID 61472489
3-(2,4,4-trimethylpentan-2-yl)-1H-imidazole-2-thione
CID 61667382
3-(2,2-dimethylcyclopropyl)-1H-imidazole-2-thione
CID 61895272
3-(3-ethylpentan-2-yl)-1H-imidazole-2-thione
CID 63838709
3-(5-methylhexan-2-yl)-1H-imidazole-2-thione
CID 63926515
3-(1-cyclopropylpropan-2-yl)-1H-imidazole-2-thione
CID 64002119
3-(1-cyclopropylbutan-2-yl)-1H-imidazole-2-thione
CID 64002120
3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-imidazole-2-thione
CID 79362331
4-propan-2-yl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
CID 79362878
4-tert-butyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
CID 81334530
4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
CID 81334647

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione (CID 79362499) is 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione is CC1(C)C(n2cc[nH]c2=S)C1(C)C.
What is the InChIKey of 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The InChIKey is RVLFMUZMNGCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-9(2)7(10(9,3)4)12-6-5-11-8(12)13/h5-7H,1-4H3,(H,11,13).
What are the key properties of 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 79362499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).