2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol

C14H11FN2OS — CID 79819016

IUPAC2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1nc2ccccc2s1)c1ccc(F)cn1
InChIInChI=1S/C14H11FN2OS/c15-9-5-6-10(16-8-9)12(18)7-14-17-11-3-1-2-4-13(11)19-14/h1-6,8,12,18H,7H2
InChIKeyNWCXNMLPDDGQQT-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.11
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 79819016) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID79819016
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESOC(Cc1nc2ccccc2s1)c1ccc(F)cn1
InChIInChI=1S/C14H11FN2OS/c15-9-5-6-10(16-8-9)12(18)7-14-17-11-3-1-2-4-13(11)19-14/h1-6,8,12,18H,7H2
InChIKeyNWCXNMLPDDGQQT-UHFFFAOYSA-N
XLogP3.11
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol
CID 82685328
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-bromo-3-fluorophenyl)ethanol
CID 66460480
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
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
3-(1,3-benzothiazol-2-yl)-2-hydroxypropanal
CID 79819003
2-(1,3-benzothiazol-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 79818416
2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82731383

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 79819016) is 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol is OC(Cc1nc2ccccc2s1)c1ccc(F)cn1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is NWCXNMLPDDGQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-9-5-6-10(16-8-9)12(18)7-14-17-11-3-1-2-4-13(11)19-14/h1-6,8,12,18H,7H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 274.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 79819016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).