6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C11H15N3O2S — CID 63009269

IUPAC6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOCCCN(C)c1nc2sccn2c1C=O
InChIInChI=1S/C11H15N3O2S/c1-13(4-3-6-16-2)10-9(8-15)14-5-7-17-11(14)12-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyONUMOPIOOWHHFU-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.68
Rot. Bonds6

About 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 63009269) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID63009269
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOCCCN(C)c1nc2sccn2c1C=O
InChIInChI=1S/C11H15N3O2S/c1-13(4-3-6-16-2)10-9(8-15)14-5-7-17-11(14)12-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyONUMOPIOOWHHFU-UHFFFAOYSA-N
XLogP1.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61418584
N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide
CID 61451158
6-[2-methoxyethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 61427156
6-[methyl(2-methylbutan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63983441
6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54999681
6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55013505
6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61422494
6-[methyl-[(2-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780524
6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61411478
2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile
CID 43475589
6-[methyl(thiolan-3-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43475632
(E)-3-[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475804

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 63009269) is 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COCCCN(C)c1nc2sccn2c1C=O.
What is the InChIKey of 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ONUMOPIOOWHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-13(4-3-6-16-2)10-9(8-15)14-5-7-17-11(14)12-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 253.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 63009269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).