2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid

C18H18N2O3S — CID 82030723

IUPAC2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
SMILESCOc1ccc(-c2cn3c4c(sc3n2)CCCC4C(=O)O)cc1C
InChIInChI=1S/C18H18N2O3S/c1-10-8-11(6-7-14(10)23-2)13-9-20-16-12(17(21)22)4-3-5-15(16)24-18(20)19-13/h6-9,12H,3-5H2,1-2H3,(H,21,22)
InChIKeyLEEGJVMUBLMBRR-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid

2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid (PubChem CID 82030723) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
PubChem CID82030723
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
SMILESCOc1ccc(-c2cn3c4c(sc3n2)CCCC4C(=O)O)cc1C
InChIInChI=1S/C18H18N2O3S/c1-10-8-11(6-7-14(10)23-2)13-9-20-16-12(17(21)22)4-3-5-15(16)24-18(20)19-13/h6-9,12H,3-5H2,1-2H3,(H,21,22)
InChIKeyLEEGJVMUBLMBRR-UHFFFAOYSA-N
XLogP3.88
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid with MolForge

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Related Compounds

2-(4-chloro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
CID 82030720
2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid
CID 82030712
10-(4-propan-2-ylphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene-3-carboxylic acid
CID 82030708
10-(4-ethoxyphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene-3-carboxylic acid
CID 82030728
6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035502
6-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035505
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
1-(4-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 115058217
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224554

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid (CID 82030723) is 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid is COc1ccc(-c2cn3c4c(sc3n2)CCCC4C(=O)O)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid?
The InChIKey is LEEGJVMUBLMBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-10-8-11(6-7-14(10)23-2)13-9-20-16-12(17(21)22)4-3-5-15(16)24-18(20)19-13/h6-9,12H,3-5H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid?
2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-8-carboxylic acid is sourced from PubChem (CID 82030723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).