2-(1,3-benzothiazol-2-yl)-1-phenylethanol

C15H13NOS — CID 15556945

IUPAC2-(1,3-benzothiazol-2-yl)-1-phenylethanol
SMILESOC(Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H13NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9,13,17H,10H2
InChIKeyOGBGGQCTNRJNCT-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.57
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-phenylethanol

2-(1,3-benzothiazol-2-yl)-1-phenylethanol (PubChem CID 15556945) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-phenylethanol
PubChem CID15556945
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-phenylethanol
SMILESOC(Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H13NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9,13,17H,10H2
InChIKeyOGBGGQCTNRJNCT-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
CID 66461067
2-(1,3-benzothiazol-2-yl)-1-(3-cyclopropylphenyl)ethanol
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3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol
CID 104632377
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 66460480
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79819245
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
CID 79205491
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-phenylethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-phenylethanol (CID 15556945) is 2-(1,3-benzothiazol-2-yl)-1-phenylethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-phenylethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-phenylethanol is OC(Cc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-phenylethanol?
The InChIKey is OGBGGQCTNRJNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9,13,17H,10H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-phenylethanol?
2-(1,3-benzothiazol-2-yl)-1-phenylethanol has a molecular weight of 255.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-phenylethanol is sourced from PubChem (CID 15556945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).