2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C15H25N3O8S — CID 173436346

IUPAC2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1sc2nc(C(=O)O)cn2c1C.OCCON(OCCO)OCCO
InChIInChI=1S/C9H10N2O2S.C6H15NO6/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7;8-1-4-11-7(12-5-2-9)13-6-3-10/h4H,3H2,1-2H3,(H,12,13);8-10H,1-6H2
InChIKeyHJTTZMHMSURALE-UHFFFAOYSA-N
MW407.45 g/mol
LogP0.02
Rot. Bonds11

About 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid

2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 173436346) has the molecular formula C15H25N3O8S and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID173436346
Molecular FormulaC15H25N3O8S
Molecular Weight407.45 g/mol
Exact Mass407.14
IUPAC Name2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCCc1sc2nc(C(=O)O)cn2c1C.OCCON(OCCO)OCCO
InChIInChI=1S/C9H10N2O2S.C6H15NO6/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7;8-1-4-11-7(12-5-2-9)13-6-3-10/h4H,3H2,1-2H3,(H,12,13);8-10H,1-6H2
InChIKeyHJTTZMHMSURALE-UHFFFAOYSA-N
XLogP0.02
TPSA146.22 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 173436346) is 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CCc1sc2nc(C(=O)O)cn2c1C.OCCON(OCCO)OCCO.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is HJTTZMHMSURALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S.C6H15NO6/c1-3-7-5(2)11-4-6(8(12)13)10-9(11)14-7;8-1-4-11-7(12-5-2-9)13-6-3-10/h4H,3H2,1-2H3,(H,12,13);8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 407.45 g/mol, XLogP of 0.02, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethoxy)amino]oxyethanol;2-ethyl-3-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 173436346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).