2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol

C13H13N3OS — CID 79819245

IUPAC2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C13H13N3OS/c1-16-8-14-7-10(16)11(17)6-13-15-9-4-2-3-5-12(9)18-13/h2-5,7-8,11,17H,6H2,1H3
InChIKeyWVOVSZJSDRDVAJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.31
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol (PubChem CID 79819245) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
PubChem CID79819245
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C13H13N3OS/c1-16-8-14-7-10(16)11(17)6-13-15-9-4-2-3-5-12(9)18-13/h2-5,7-8,11,17H,6H2,1H3
InChIKeyWVOVSZJSDRDVAJ-UHFFFAOYSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
CID 79205491
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
2-(1,3-benzothiazol-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 79818416
3-(1,3-benzothiazol-2-yl)-2-fluoropropanoic acid
CID 79819155
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
(2R,3S)-3-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]sulfanylbutan-2-ol
CID 96958224
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79819016
2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 66459666

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol (CID 79819245) is 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol is Cn1cncc1C(O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol?
The InChIKey is WVOVSZJSDRDVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-16-8-14-7-10(16)11(17)6-13-15-9-4-2-3-5-12(9)18-13/h2-5,7-8,11,17H,6H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol has a molecular weight of 259.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 79819245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).