4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one

C11H16N4O2S — CID 106384025

IUPAC4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCNCc1cncn1Cc1csc(=O)[nH]1
InChIInChI=1S/C11H16N4O2S/c1-17-3-2-12-4-10-5-13-8-15(10)6-9-7-18-11(16)14-9/h5,7-8,12H,2-4,6H2,1H3,(H,14,16)
InChIKeyOVBLFAOMGPTFNE-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.42
Rot. Bonds7

About 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one

4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384025) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384025
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCNCc1cncn1Cc1csc(=O)[nH]1
InChIInChI=1S/C11H16N4O2S/c1-17-3-2-12-4-10-5-13-8-15(10)6-9-7-18-11(16)14-9/h5,7-8,12H,2-4,6H2,1H3,(H,14,16)
InChIKeyOVBLFAOMGPTFNE-UHFFFAOYSA-N
XLogP0.42
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-isobutyl-N'-{2-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]ethyl}urea
CID 91923946
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylacetamide
CID 91777875
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidin-1-ylacetamide
CID 91777901
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123822
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}propane-2-sulfonamide
CID 131937458
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 4-[[bis(2-ethylsulfanylethyl)amino]methyl]imidazole-1-carboxylate
CID 155934068
2-(2-Aminoethoxy)ethyl 4-[[bis(2-ethylsulfanylethyl)amino]methyl]imidazole-1-carboxylate
CID 155934069
N,N,1-trimethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]imidazol-2-amine
CID 64012180
N-[(3-propylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66129788
N-[(3-ethylimidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66133033
2-methoxy-N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]ethanamine
CID 66146499

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one (CID 106384025) is 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one is COCCNCc1cncn1Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OVBLFAOMGPTFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-17-3-2-12-4-10-5-13-8-15(10)6-9-7-18-11(16)14-9/h5,7-8,12H,2-4,6H2,1H3,(H,14,16).
What are the key properties of 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one?
4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 268.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).