1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol

C9H16N2O3S — CID 107780891

IUPAC1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CSc1ncc[nH]1
InChIInChI=1S/C9H16N2O3S/c1-13-4-5-14-6-8(12)7-15-9-10-2-3-11-9/h2-3,8,12H,4-7H2,1H3,(H,10,11)
InChIKeyMCZLGZZWEDFDKC-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.53
Rot. Bonds8

About 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol

1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 107780891) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID107780891
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CSc1ncc[nH]1
InChIInChI=1S/C9H16N2O3S/c1-13-4-5-14-6-8(12)7-15-9-10-2-3-11-9/h2-3,8,12H,4-7H2,1H3,(H,10,11)
InChIKeyMCZLGZZWEDFDKC-UHFFFAOYSA-N
XLogP0.53
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol 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

1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
1-(4-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992365
2-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanylpyridine-3-carboxylic acid
CID 106988349
1-(2-fluorophenyl)sulfanyl-3-(2-methoxyethoxy)propan-2-ol
CID 106992356
1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 106992395
2-amino-3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 107784621
2-chloro-3-(1H-imidazol-2-ylsulfanyl)propanoic acid
CID 107782758
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107781988
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
methyl 3-(1H-imidazol-2-ylsulfanyl)-2,2-dimethylpropanoate
CID 103351434
4-fluoro-3-[2-hydroxy-3-(2-methoxyethoxy)propyl]sulfanylbenzoic acid
CID 106988391

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol (CID 107780891) is 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CSc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is MCZLGZZWEDFDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-13-4-5-14-6-8(12)7-15-9-10-2-3-11-9/h2-3,8,12H,4-7H2,1H3,(H,10,11).
What are the key properties of 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol?
1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 232.30 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylsulfanyl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 107780891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).