2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol

C12H19N3O2S — CID 103992617

IUPAC2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
SMILESCc1nc2sccn2c1CNCCCOCCO
InChIInChI=1S/C12H19N3O2S/c1-10-11(15-4-8-18-12(15)14-10)9-13-3-2-6-17-7-5-16/h4,8,13,16H,2-3,5-7,9H2,1H3
InChIKeyVYXIFRIVPCEXPQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.19
Rot. Bonds8

About 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol

2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol (PubChem CID 103992617) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
PubChem CID103992617
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
SMILESCc1nc2sccn2c1CNCCCOCCO
InChIInChI=1S/C12H19N3O2S/c1-10-11(15-4-8-18-12(15)14-10)9-13-3-2-6-17-7-5-16/h4,8,13,16H,2-3,5-7,9H2,1H3
InChIKeyVYXIFRIVPCEXPQ-UHFFFAOYSA-N
XLogP1.19
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.19
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

methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
CID 54920768
2-[2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethoxy]ethanol
CID 43771454
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
5,5,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115491280
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 43761768
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63221874
2-cyclohexyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932062
N-(2-methoxyethoxy)-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82715198
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 61460056

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol (CID 103992617) is 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol is Cc1nc2sccn2c1CNCCCOCCO.
What is the InChIKey of 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol?
The InChIKey is VYXIFRIVPCEXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-11(15-4-8-18-12(15)14-10)9-13-3-2-6-17-7-5-16/h4,8,13,16H,2-3,5-7,9H2,1H3.
What are the key properties of 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol?
2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol has a molecular weight of 269.37 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol is sourced from PubChem (CID 103992617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).