4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione

C10H18N2OS — CID 12519159

IUPAC4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione
SMILESCOCCn1c(C(C)(C)C)c[nH]c1=S
InChIInChI=1S/C10H18N2OS/c1-10(2,3)8-7-11-9(14)12(8)5-6-13-4/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyGZJMTDJLGAQGTA-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.49
Rot. Bonds3

About 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione

4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione (PubChem CID 12519159) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione
PubChem CID12519159
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione
SMILESCOCCn1c(C(C)(C)C)c[nH]c1=S
InChIInChI=1S/C10H18N2OS/c1-10(2,3)8-7-11-9(14)12(8)5-6-13-4/h7H,5-6H2,1-4H3,(H,11,14)
InChIKeyGZJMTDJLGAQGTA-UHFFFAOYSA-N
XLogP2.49
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-3-(2-methoxyethyl)-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-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 64863377
4-tert-butyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81335925
4-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81336042
3-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 105905340
3-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1H-imidazole-2-thione
CID 105905345
4-tert-butyl-3-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 114126849
1-(2-methoxyethyl)-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519162
5-tert-butyl-1-(3-methoxypropyl)-1,3-dihydro-2H-imidazole-2-thione
CID 12519169
3-[2-(3-methylbutoxy)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862789
3-(2-butoxyethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862790
3-(1-methoxypropan-2-yl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863162
3-(3-methoxy-2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863371

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione?
The IUPAC name of 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione (CID 12519159) is 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione is COCCn1c(C(C)(C)C)c[nH]c1=S.
What is the InChIKey of 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione?
The InChIKey is GZJMTDJLGAQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-10(2,3)8-7-11-9(14)12(8)5-6-13-4/h7H,5-6H2,1-4H3,(H,11,14).
What are the key properties of 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione?
4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione has a molecular weight of 214.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(2-methoxyethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 12519159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).