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

C17H18N2O2S — CID 4552709

IUPAC6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCC(C)c1cc(-c2nc3sccn3c2C=O)ccc1OC
InChIInChI=1S/C17H18N2O2S/c1-4-11(2)13-9-12(5-6-15(13)21-3)16-14(10-20)19-7-8-22-17(19)18-16/h5-11H,4H2,1-3H3
InChIKeyCCJWTUNSSFHDHR-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.40
Rot. Bonds5

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

6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 4552709) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID4552709
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCC(C)c1cc(-c2nc3sccn3c2C=O)ccc1OC
InChIInChI=1S/C17H18N2O2S/c1-4-11(2)13-9-12(5-6-15(13)21-3)16-14(10-20)19-7-8-22-17(19)18-16/h5-11H,4H2,1-3H3
InChIKeyCCJWTUNSSFHDHR-UHFFFAOYSA-N
XLogP4.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
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-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3524913
6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 712406
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-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
3-[(2S)-butan-2-yl]-4-methoxybenzaldehyde
CID 86324039
3-[(2R)-butan-2-yl]-4-methoxybenzaldehyde
CID 86324038

Frequently Asked Questions

What is the IUPAC name of 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 4552709) is 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCC(C)c1cc(-c2nc3sccn3c2C=O)ccc1OC.
What is the InChIKey of 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is CCJWTUNSSFHDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-11(2)13-9-12(5-6-15(13)21-3)16-14(10-20)19-7-8-22-17(19)18-16/h5-11H,4H2,1-3H3.
What are the key properties of 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 314.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 4552709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).