3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C19H22N2OS — CID 39198964

IUPAC3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2nc(C)c(C=O)n2c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N2OS/c1-6-16-17(13-7-9-14(10-8-13)19(3,4)5)21-15(11-22)12(2)20-18(21)23-16/h7-11H,6H2,1-5H3
InChIKeyPABFHORCOUDMKJ-UHFFFAOYSA-N
MW326.47 g/mol
LogP5.04
Rot. Bonds3

About 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198964) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198964
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2nc(C)c(C=O)n2c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H22N2OS/c1-6-16-17(13-7-9-14(10-8-13)19(3,4)5)21-15(11-22)12(2)20-18(21)23-16/h7-11H,6H2,1-5H3
InChIKeyPABFHORCOUDMKJ-UHFFFAOYSA-N
XLogP5.04
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.47
LogP ≤ 55.04
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

2-ethyl-6-methyl-3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198979
2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198367
3-(2,4-dimethylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198955
2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199004
2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199033
2-ethyl-3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035323
6-(1,3-benzodioxol-5-yl)-2-ethyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198909
3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035472
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198440
2-ethyl-6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035892
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 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198964) is 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCc1sc2nc(C)c(C=O)n2c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is PABFHORCOUDMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-6-16-17(13-7-9-14(10-8-13)19(3,4)5)21-15(11-22)12(2)20-18(21)23-16/h7-11H,6H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 326.47 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).