[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol

C13H10N2OS2 — CID 80651110

IUPAC[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
SMILESOCc1ccc(Sc2nc3ccccc3s2)nc1
InChIInChI=1S/C13H10N2OS2/c16-8-9-5-6-12(14-7-9)18-13-15-10-3-1-2-4-11(10)17-13/h1-7,16H,8H2
InChIKeyOHDXZUZCEFMFMB-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.33
Rot. Bonds3

About [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol

[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol (PubChem CID 80651110) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
PubChem CID80651110
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
SMILESOCc1ccc(Sc2nc3ccccc3s2)nc1
InChIInChI=1S/C13H10N2OS2/c16-8-9-5-6-12(14-7-9)18-13-15-10-3-1-2-4-11(10)17-13/h1-7,16H,8H2
InChIKeyOHDXZUZCEFMFMB-UHFFFAOYSA-N
XLogP3.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1,3-benzothiazol-2-ylsulfanyl)thiophen-2-yl]methanol
CID 107365183
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 114870822
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 32681682
4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886924
6-(1,3-benzothiazol-2-ylsulfanyl)pyridazine-3-carboxylic acid
CID 54919493
2-(5-iodopyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 115620498
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 78843311
2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
2-(2-methylsulfanylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 11837199
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
CID 115941653

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol (CID 80651110) is [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol is OCc1ccc(Sc2nc3ccccc3s2)nc1.
What is the InChIKey of [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol?
The InChIKey is OHDXZUZCEFMFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-8-9-5-6-12(14-7-9)18-13-15-10-3-1-2-4-11(10)17-13/h1-7,16H,8H2.
What are the key properties of [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol?
[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol has a molecular weight of 274.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol is sourced from PubChem (CID 80651110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).