quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol

C12H9N3OS — CID 105118765

IUPACquinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
SMILESOC(c1cnsn1)c1cccc2cccnc12
InChIInChI=1S/C12H9N3OS/c16-12(10-7-14-17-15-10)9-5-1-3-8-4-2-6-13-11(8)9/h1-7,12,16H
InChIKeySEZBOKTXAISJIQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.17
Rot. Bonds2

About quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol

quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105118765) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Namequinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105118765
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Namequinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
SMILESOC(c1cnsn1)c1cccc2cccnc12
InChIInChI=1S/C12H9N3OS/c16-12(10-7-14-17-15-10)9-5-1-3-8-4-2-6-13-11(8)9/h1-7,12,16H
InChIKeySEZBOKTXAISJIQ-UHFFFAOYSA-N
XLogP2.17
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105172512
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
CID 115527954
(4-methyl-3-pyridinyl)-quinolin-8-ylmethanol
CID 66273941
(3-chloro-4-pyridinyl)-quinolin-8-ylmethanol
CID 105118816
(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
CID 82704162
(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
CID 115826971
quinolin-8-yl(1H-1,2,4-triazol-5-yl)methanol
CID 81219926
(3-ethylthiophen-2-yl)-quinolin-8-ylmethanol
CID 115826964
(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105125917
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
8-(dichloromethyl)quinoline
CID 19989328
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol (CID 105118765) is quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol is OC(c1cnsn1)c1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is SEZBOKTXAISJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-12(10-7-14-17-15-10)9-5-1-3-8-4-2-6-13-11(8)9/h1-7,12,16H.
What are the key properties of quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol?
quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol has a molecular weight of 243.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105118765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).