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

C15H14N2OS — CID 39199033

IUPAC2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2ncc(C=O)n2c1-c1ccc(C)cc1
InChIInChI=1S/C15H14N2OS/c1-3-13-14(11-6-4-10(2)5-7-11)17-12(9-18)8-16-15(17)19-13/h4-9H,3H2,1-2H3
InChIKeySBPYXDLFUQPBBT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.75
Rot. Bonds3

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

2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39199033) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39199033
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2ncc(C=O)n2c1-c1ccc(C)cc1
InChIInChI=1S/C15H14N2OS/c1-3-13-14(11-6-4-10(2)5-7-11)17-12(9-18)8-16-15(17)19-13/h4-9H,3H2,1-2H3
InChIKeySBPYXDLFUQPBBT-UHFFFAOYSA-N
XLogP3.75
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.75
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

3-methyl-2-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 83970084
3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199083
2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198367
3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198964
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
2-ethyl-6-methyl-3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198979
3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199074
2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195226
2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195234
3-(2,4-dimethylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198955
2-ethyl-3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035323
2-[5,6-dimethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 82035976

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39199033) is 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCc1sc2ncc(C=O)n2c1-c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is SBPYXDLFUQPBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-3-13-14(11-6-4-10(2)5-7-11)17-12(9-18)8-16-15(17)19-13/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 270.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39199033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).