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

C15H14N2O3S — CID 3524913

IUPAC6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1cc(C)c(-c2nc3sccn3c2C=O)cc1OC
InChIInChI=1S/C15H14N2O3S/c1-9-6-12(19-2)13(20-3)7-10(9)14-11(8-18)17-4-5-21-15(17)16-14/h4-8H,1-3H3
InChIKeyUSQIAIIKMQVIRU-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.20
Rot. Bonds4

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

6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 3524913) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID3524913
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1cc(C)c(-c2nc3sccn3c2C=O)cc1OC
InChIInChI=1S/C15H14N2O3S/c1-9-6-12(19-2)13(20-3)7-10(9)14-11(8-18)17-4-5-21-15(17)16-14/h4-8H,1-3H3
InChIKeyUSQIAIIKMQVIRU-UHFFFAOYSA-N
XLogP3.20
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923
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-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 4552709
6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 11436870
6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43589938
6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 712406
(E)-1-(3,4-dimethylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51353296
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
6-(5-fluoro-2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3829026
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
CID 116889414

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 3524913) is 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1cc(C)c(-c2nc3sccn3c2C=O)cc1OC.
What is the InChIKey of 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is USQIAIIKMQVIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-6-12(19-2)13(20-3)7-10(9)14-11(8-18)17-4-5-21-15(17)16-14/h4-8H,1-3H3.
What are the key properties of 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 302.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 3524913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).