6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde

C22H26N2OS — CID 82036144

IUPAC6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
SMILESCc1ccc(-c2nc3sc4c(n3c2C=O)CCC(C(C)(C)C)C4)c(C)c1
InChIInChI=1S/C22H26N2OS/c1-13-6-8-16(14(2)10-13)20-18(12-25)24-17-9-7-15(22(3,4)5)11-19(17)26-21(24)23-20/h6,8,10,12,15H,7,9,11H2,1-5H3
InChIKeyQDCZQWKJKKAUJA-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.64
Rot. Bonds2

About 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde

6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde (PubChem CID 82036144) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde.

Molecular Properties

Compound Name6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
PubChem CID82036144
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
SMILESCc1ccc(-c2nc3sc4c(n3c2C=O)CCC(C(C)(C)C)C4)c(C)c1
InChIInChI=1S/C22H26N2OS/c1-13-6-8-16(14(2)10-13)20-18(12-25)24-17-9-7-15(22(3,4)5)11-19(17)26-21(24)23-20/h6,8,10,12,15H,7,9,11H2,1-5H3
InChIKeyQDCZQWKJKKAUJA-UHFFFAOYSA-N
XLogP5.64
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.64
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

6-tert-butyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036030
3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198429
6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198498
(6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)methanol
CID 82061834
N-[6-tert-butyl-2-(ethoxymethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]acetamide
CID 139417724
(6S)-2-(4-bromophenyl)-6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 7025090
6-tert-butyl-1-[(2-oxopiperidin-1-yl)methyl]-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 118971119
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
CID 89208082
(6S)-2-amino-6-tert-butyl-N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1325519
(6R)-2-acetamido-6-tert-butyl-N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1337234
6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 118970949
ethyl 6-tert-butyl-2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4621648

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The IUPAC name of 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde (CID 82036144) is 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde.
What is the SMILES notation for 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The canonical SMILES for 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde is Cc1ccc(-c2nc3sc4c(n3c2C=O)CCC(C(C)(C)C)C4)c(C)c1.
What is the InChIKey of 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The InChIKey is QDCZQWKJKKAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-13-6-8-16(14(2)10-13)20-18(12-25)24-17-9-7-15(22(3,4)5)11-19(17)26-21(24)23-20/h6,8,10,12,15H,7,9,11H2,1-5H3.
What are the key properties of 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde has a molecular weight of 366.53 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde is sourced from PubChem (CID 82036144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).