4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid

C16H10N2O2S — CID 12926123

IUPAC4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H10N2O2S/c19-15(20)11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)21-16(18)17-12/h1-9H,(H,19,20)
InChIKeySJVSPBJRLIELAI-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.91
Rot. Bonds2

About 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid

4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid (PubChem CID 12926123) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid
PubChem CID12926123
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H10N2O2S/c19-15(20)11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)21-16(18)17-12/h1-9H,(H,19,20)
InChIKeySJVSPBJRLIELAI-UHFFFAOYSA-N
XLogP3.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzoic acid
CID 20823956
2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl)-propionylamino]-benzoic acid
CID 11617852
2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid
CID 133053887
3-[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 1117205
Imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone
CID 14067627
Benzyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067634
2-(3-Benzo[d]imidazo[2,1-b]thiazol-2-yl-propionylamino)-benzoic acid
CID 42625213
4-[[5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]-2-(2-phenylethyl)imidazol-1-yl]methyl]benzoic acid
CID 14952954
4-(2-(Benzo[d]thiazol-2-ylethynyl)-8-morpholinoimidazo[1,2-a]pyrazin-5-yl)benzoic acid
CID 86345898
2-[[5-[[4-(1,3-Benzothiazol-2-yl)-3-phenylanilino]methyl]imidazol-1-yl]methyl]-5-phenylbenzoic acid
CID 72544201
4-(5,6,7,8-Tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)benzoic acid
CID 11508281
[2-(4-Methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-piperidin-1-ylmethanone
CID 16018295

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid?
The IUPAC name of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid (CID 12926123) is 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid?
The canonical SMILES for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid is O=C(O)c1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid?
The InChIKey is SJVSPBJRLIELAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-15(20)11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)21-16(18)17-12/h1-9H,(H,19,20).
What are the key properties of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid?
4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid has a molecular weight of 294.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid is sourced from PubChem (CID 12926123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).