2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid

C18H14N2O2S — CID 6623281

IUPAC2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
SMILESCc1ccc(-c2cn3c(n2)sc2cc(C(=O)O)ccc23)c(C)c1
InChIInChI=1S/C18H14N2O2S/c1-10-3-5-13(11(2)7-10)14-9-20-15-6-4-12(17(21)22)8-16(15)23-18(20)19-14/h3-9H,1-2H3,(H,21,22)
InChIKeyDEQFHPOOWZPPDU-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.53
Rot. Bonds2

About 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid

2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid (PubChem CID 6623281) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
PubChem CID6623281
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
SMILESCc1ccc(-c2cn3c(n2)sc2cc(C(=O)O)ccc23)c(C)c1
InChIInChI=1S/C18H14N2O2S/c1-10-3-5-13(11(2)7-10)14-9-20-15-6-4-12(17(21)22)8-16(15)23-18(20)19-14/h3-9H,1-2H3,(H,21,22)
InChIKeyDEQFHPOOWZPPDU-UHFFFAOYSA-N
XLogP4.53
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid (CID 6623281) is 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid is Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)O)ccc23)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
The InChIKey is DEQFHPOOWZPPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-10-3-5-13(11(2)7-10)14-9-20-15-6-4-12(17(21)22)8-16(15)23-18(20)19-14/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid?
2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid has a molecular weight of 322.39 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid is sourced from PubChem (CID 6623281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).