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

C12H17N3O3S — CID 61418584

IUPAC6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOCCN(CCOC)c1nc2sccn2c1C=O
InChIInChI=1S/C12H17N3O3S/c1-17-6-3-14(4-7-18-2)11-10(9-16)15-5-8-19-12(15)13-11/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyQHDGDBVRJNKPJV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.31
Rot. Bonds8

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

6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 61418584) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID61418584
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOCCN(CCOC)c1nc2sccn2c1C=O
InChIInChI=1S/C12H17N3O3S/c1-17-6-3-14(4-7-18-2)11-10(9-16)15-5-8-19-12(15)13-11/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyQHDGDBVRJNKPJV-UHFFFAOYSA-N
XLogP1.31
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[3-methoxypropyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63009269
2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile
CID 43475589
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61418301
N,N-diethyl-2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-methylamino]acetamide
CID 61451158
2-[(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)-(2-methylpropyl)amino]acetamide
CID 55003155
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
3-[6-[cyclopropyl(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 76904438
6-[methyl(4-methylpentan-2-yl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 54999681
3-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(2-methoxyethyl)amino]propanenitrile
CID 63285602
6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 112728119
6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55013505

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 61418584) is 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COCCN(CCOC)c1nc2sccn2c1C=O.
What is the InChIKey of 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is QHDGDBVRJNKPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-17-6-3-14(4-7-18-2)11-10(9-16)15-5-8-19-12(15)13-11/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 283.35 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 61418584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).