6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H7BrN2OS — CID 712406

IUPAC6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(Br)cc2)nc2sccn12
InChIInChI=1S/C12H7BrN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChIKeyDERSRCNYCMEQSR-UHFFFAOYSA-N
MW307.17 g/mol
LogP3.64
Rot. Bonds2

About 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 712406) has the molecular formula C12H7BrN2OS and a molecular weight of 307.17 g/mol. Its IUPAC name is 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID712406
Molecular FormulaC12H7BrN2OS
Molecular Weight307.17 g/mol
Exact Mass305.95
IUPAC Name6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(Br)cc2)nc2sccn12
InChIInChI=1S/C12H7BrN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChIKeyDERSRCNYCMEQSR-UHFFFAOYSA-N
XLogP3.64
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635628
6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635630
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
6-[2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]-1H-pyrimidin-2-one
CID 69179976
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758996
6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3819350
6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 11436870
6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 4552709
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
6-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 712406) is 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2ccc(Br)cc2)nc2sccn12.
What is the InChIKey of 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is DERSRCNYCMEQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H.
What are the key properties of 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 307.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 712406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).