1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol

C15H14N2OS2 — CID 115941653

IUPAC1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2nc3ccccc3s2)cn1
InChIInChI=1S/C15H14N2OS2/c1-2-13(18)11-8-7-10(9-16-11)19-15-17-12-5-3-4-6-14(12)20-15/h3-9,13,18H,2H2,1H3
InChIKeyXXPHVNJYJLXYIL-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.29
Rot. Bonds4

About 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol

1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol (PubChem CID 115941653) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
PubChem CID115941653
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2nc3ccccc3s2)cn1
InChIInChI=1S/C15H14N2OS2/c1-2-13(18)11-8-7-10(9-16-11)19-15-17-12-5-3-4-6-14(12)20-15/h3-9,13,18H,2H2,1H3
InChIKeyXXPHVNJYJLXYIL-UHFFFAOYSA-N
XLogP4.29
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 115939134
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814574
1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 112586571
1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586546
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-N-methylethanamine
CID 43286117
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
CID 80651110
2-(1,3-benzothiazol-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79819016

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol (CID 115941653) is 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Sc2nc3ccccc3s2)cn1.
What is the InChIKey of 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol?
The InChIKey is XXPHVNJYJLXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-2-13(18)11-8-7-10(9-16-11)19-15-17-12-5-3-4-6-14(12)20-15/h3-9,13,18H,2H2,1H3.
What are the key properties of 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol?
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol has a molecular weight of 302.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115941653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).