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

C19H20N2O3S — CID 82036334

IUPAC2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
SMILESCOc1ccc(OC)c(-c2nc3sc4c(n3c2C=O)CCC(C)C4)c1
InChIInChI=1S/C19H20N2O3S/c1-11-4-6-14-17(8-11)25-19-20-18(15(10-22)21(14)19)13-9-12(23-2)5-7-16(13)24-3/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyAMVZBHRRONSMIB-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.02
Rot. Bonds4

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

2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde (PubChem CID 82036334) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
PubChem CID82036334
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
SMILESCOc1ccc(OC)c(-c2nc3sc4c(n3c2C=O)CCC(C)C4)c1
InChIInChI=1S/C19H20N2O3S/c1-11-4-6-14-17(8-11)25-19-20-18(15(10-22)21(14)19)13-9-12(23-2)5-7-16(13)24-3/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyAMVZBHRRONSMIB-UHFFFAOYSA-N
XLogP4.02
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.02
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

[2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 82035158
2-(4-chlorophenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036084
2-(1,3-benzodioxol-5-yl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036345
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199014
3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199016
6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 162395748
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5138002
6-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923
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-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine
CID 62075863
(E)-3-(2,5-dimethoxyphenyl)-2-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]prop-2-enenitrile
CID 7689944

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde (CID 82036334) is 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde is COc1ccc(OC)c(-c2nc3sc4c(n3c2C=O)CCC(C)C4)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The InChIKey is AMVZBHRRONSMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-4-6-14-17(8-11)25-19-20-18(15(10-22)21(14)19)13-9-12(23-2)5-7-16(13)24-3/h5,7,9-11H,4,6,8H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde has a molecular weight of 356.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde is sourced from PubChem (CID 82036334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).