3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol

C16H12N2OS — CID 12811336

IUPAC3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
SMILESCc1ccc2c(c1)sc1nc(-c3cccc(O)c3)cn12
InChIInChI=1S/C16H12N2OS/c1-10-5-6-14-15(7-10)20-16-17-13(9-18(14)16)11-3-2-4-12(19)8-11/h2-9,19H,1H3
InChIKeyBWPDPSQXUUZBNX-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.23
Rot. Bonds1

About 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol

3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol (PubChem CID 12811336) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
PubChem CID12811336
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
SMILESCc1ccc2c(c1)sc1nc(-c3cccc(O)c3)cn12
InChIInChI=1S/C16H12N2OS/c1-10-5-6-14-15(7-10)20-16-17-13(9-18(14)16)11-3-2-4-12(19)8-11/h2-9,19H,1H3
InChIKeyBWPDPSQXUUZBNX-UHFFFAOYSA-N
XLogP4.23
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411
2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
CID 51002653
6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607435
N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide
CID 66795428
2-(3-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571699
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone
CID 167710337
2-[3-(methylamino)cyclobutyl]-1-[2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]ethanone
CID 167547905
ethyl 2-(3-bromophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
CID 166039163
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
formic acid;N-[3-(methylamino)cyclobutyl]-2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 175792726

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol?
The IUPAC name of 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol (CID 12811336) is 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol.
What is the SMILES notation for 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol?
The canonical SMILES for 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol is Cc1ccc2c(c1)sc1nc(-c3cccc(O)c3)cn12.
What is the InChIKey of 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol?
The InChIKey is BWPDPSQXUUZBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-10-5-6-14-15(7-10)20-16-17-13(9-18(14)16)11-3-2-4-12(19)8-11/h2-9,19H,1H3.
What are the key properties of 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol?
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol has a molecular weight of 280.35 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol is sourced from PubChem (CID 12811336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).