5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol

C16H12N2O2S — CID 12926152

IUPAC5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol
SMILESCOc1ccc(-c2cn3c(n2)sc2ccccc23)cc1O
InChIInChI=1S/C16H12N2O2S/c1-20-14-7-6-10(8-13(14)19)11-9-18-12-4-2-3-5-15(12)21-16(18)17-11/h2-9,19H,1H3
InChIKeyNVIXMWXKFKKWLV-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.93
Rot. Bonds2

About 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol

5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol (PubChem CID 12926152) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol.

Molecular Properties

Compound Name5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol
PubChem CID12926152
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol
SMILESCOc1ccc(-c2cn3c(n2)sc2ccccc23)cc1O
InChIInChI=1S/C16H12N2O2S/c1-20-14-7-6-10(8-13(14)19)11-9-18-12-4-2-3-5-15(12)21-16(18)17-11/h2-9,19H,1H3
InChIKeyNVIXMWXKFKKWLV-UHFFFAOYSA-N
XLogP3.93
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol?
The IUPAC name of 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol (CID 12926152) is 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol.
What is the SMILES notation for 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol?
The canonical SMILES for 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol is COc1ccc(-c2cn3c(n2)sc2ccccc23)cc1O.
What is the InChIKey of 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol?
The InChIKey is NVIXMWXKFKKWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-20-14-7-6-10(8-13(14)19)11-9-18-12-4-2-3-5-15(12)21-16(18)17-11/h2-9,19H,1H3.
What are the key properties of 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol?
5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol has a molecular weight of 296.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-methoxyphenol is sourced from PubChem (CID 12926152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).