6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C14H12N2O4S — CID 43589938

IUPAC6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1cc(OC)cc(Oc2nc3sccn3c2C=O)c1
InChIInChI=1S/C14H12N2O4S/c1-18-9-5-10(19-2)7-11(6-9)20-13-12(8-17)16-3-4-21-14(16)15-13/h3-8H,1-2H3
InChIKeyCAGVYQHHKKVQEY-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.02
Rot. Bonds5

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

6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 43589938) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID43589938
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1cc(OC)cc(Oc2nc3sccn3c2C=O)c1
InChIInChI=1S/C14H12N2O4S/c1-18-9-5-10(19-2)7-11(6-9)20-13-12(8-17)16-3-4-21-14(16)15-13/h3-8H,1-2H3
InChIKeyCAGVYQHHKKVQEY-UHFFFAOYSA-N
XLogP3.02
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.02
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-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 116792967
6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43554836
6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107169612
6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43479767
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896
6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 112728119
6-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923
6-(2-ethoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780522
(E)-N-methoxy-1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
CID 42924897
6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3524913
6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780661
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 43589938) is 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1cc(OC)cc(Oc2nc3sccn3c2C=O)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is CAGVYQHHKKVQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-18-9-5-10(19-2)7-11(6-9)20-13-12(8-17)16-3-4-21-14(16)15-13/h3-8H,1-2H3.
What are the key properties of 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 304.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 43589938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).