2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde

C17H15ClN2OS — CID 82036084

IUPAC2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
SMILESCC1CCc2c(sc3nc(-c4ccc(Cl)cc4)c(C=O)n23)C1
InChIInChI=1S/C17H15ClN2OS/c1-10-2-7-13-15(8-10)22-17-19-16(14(9-21)20(13)17)11-3-5-12(18)6-4-11/h3-6,9-10H,2,7-8H2,1H3
InChIKeyRABJIZJYRVNGEY-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.65
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde

2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde (PubChem CID 82036084) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
PubChem CID82036084
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
SMILESCC1CCc2c(sc3nc(-c4ccc(Cl)cc4)c(C=O)n23)C1
InChIInChI=1S/C17H15ClN2OS/c1-10-2-7-13-15(8-10)22-17-19-16(14(9-21)20(13)17)11-3-5-12(18)6-4-11/h3-6,9-10H,2,7-8H2,1H3
InChIKeyRABJIZJYRVNGEY-UHFFFAOYSA-N
XLogP4.65
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036345
6-tert-butyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036030
2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036334
3-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198378
(E)-3-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)prop-2-enoic acid
CID 82035118
6-tert-butyl-2-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036144
10-methyl-4-(4-propan-2-yloxyphenyl)-7-thia-2,5,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-3-carbaldehyde
CID 82036234
2-chloro-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 10709091
6-[1-(aminomethyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl]-3H-1,3-benzoxazol-2-one
CID 82035152
6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198498
2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198367
2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82036098

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde (CID 82036084) is 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde is CC1CCc2c(sc3nc(-c4ccc(Cl)cc4)c(C=O)n23)C1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The InChIKey is RABJIZJYRVNGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-10-2-7-13-15(8-10)22-17-19-16(14(9-21)20(13)17)11-3-5-12(18)6-4-11/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde has a molecular weight of 330.84 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde is sourced from PubChem (CID 82036084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).