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

C17H18N2O2S — CID 3758996

IUPAC6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(-c2nc3sccn3c2C=O)cc1C(C)(C)C
InChIInChI=1S/C17H18N2O2S/c1-17(2,3)12-9-11(5-6-14(12)21-4)15-13(10-20)19-7-8-22-16(19)18-15/h5-10H,1-4H3
InChIKeyYUJBTRPVGAJHDH-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.18
Rot. Bonds3

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

6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 3758996) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID3758996
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(-c2nc3sccn3c2C=O)cc1C(C)(C)C
InChIInChI=1S/C17H18N2O2S/c1-17(2,3)12-9-11(5-6-14(12)21-4)15-13(10-20)19-7-8-22-16(19)18-15/h5-10H,1-4H3
InChIKeyYUJBTRPVGAJHDH-UHFFFAOYSA-N
XLogP4.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.18
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-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 4552709
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-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635630
6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635628
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046
6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3819350
3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 70896459
6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 3758996) is 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1ccc(-c2nc3sccn3c2C=O)cc1C(C)(C)C.
What is the InChIKey of 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is YUJBTRPVGAJHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-17(2,3)12-9-11(5-6-14(12)21-4)15-13(10-20)19-7-8-22-16(19)18-15/h5-10H,1-4H3.
What are the key properties of 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 314.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 3758996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).