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

C12H7IN2O2S — CID 43479767

IUPAC6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Oc2ccccc2I)nc2sccn12
InChIInChI=1S/C12H7IN2O2S/c13-8-3-1-2-4-10(8)17-11-9(7-16)15-5-6-18-12(15)14-11/h1-7H
InChIKeyDQNZLJRETNVPGI-UHFFFAOYSA-N
MW370.17 g/mol
LogP3.61
Rot. Bonds3

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

6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 43479767) has the molecular formula C12H7IN2O2S and a molecular weight of 370.17 g/mol. Its IUPAC name is 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID43479767
Molecular FormulaC12H7IN2O2S
Molecular Weight370.17 g/mol
Exact Mass369.93
IUPAC Name6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Oc2ccccc2I)nc2sccn12
InChIInChI=1S/C12H7IN2O2S/c13-8-3-1-2-4-10(8)17-11-9(7-16)15-5-6-18-12(15)14-11/h1-7H
InChIKeyDQNZLJRETNVPGI-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43589938
N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
CID 43479817
6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780661
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896
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-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 112728119
6-(2-ethoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780522
6-[(4-chlorophenyl)methoxy]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780516
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476132

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 43479767) is 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(Oc2ccccc2I)nc2sccn12.
What is the InChIKey of 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is DQNZLJRETNVPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN2O2S/c13-8-3-1-2-4-10(8)17-11-9(7-16)15-5-6-18-12(15)14-11/h1-7H.
What are the key properties of 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 370.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 43479767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).