quinolin-7-yl(1,3-thiazol-4-yl)methanol

C13H10N2OS — CID 81220836

IUPACquinolin-7-yl(1,3-thiazol-4-yl)methanol
SMILESOC(c1ccc2cccnc2c1)c1cscn1
InChIInChI=1S/C13H10N2OS/c16-13(12-7-17-8-15-12)10-4-3-9-2-1-5-14-11(9)6-10/h1-8,13,16H
InChIKeyCHKYWZSVWXWYSH-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.77
Rot. Bonds2

About quinolin-7-yl(1,3-thiazol-4-yl)methanol

quinolin-7-yl(1,3-thiazol-4-yl)methanol (PubChem CID 81220836) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is quinolin-7-yl(1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Namequinolin-7-yl(1,3-thiazol-4-yl)methanol
PubChem CID81220836
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Namequinolin-7-yl(1,3-thiazol-4-yl)methanol
SMILESOC(c1ccc2cccnc2c1)c1cscn1
InChIInChI=1S/C13H10N2OS/c16-13(12-7-17-8-15-12)10-4-3-9-2-1-5-14-11(9)6-10/h1-8,13,16H
InChIKeyCHKYWZSVWXWYSH-UHFFFAOYSA-N
XLogP2.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-pyridinyl)-quinolin-7-ylmethanol
CID 81220437
phenyl(1,3-thiazol-4-yl)methanol
CID 78923958
furan-2-yl(quinolin-7-yl)methanol
CID 81216478
(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556
(4-methylsulfanylphenyl)-quinolin-7-ylmethanol
CID 115827020
(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
3-amino-1-quinolin-7-ylpropan-1-ol
CID 84670752
(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
CID 115827163
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
pyrimidin-2-yl(quinolin-7-yl)methanamine
CID 81220998
pyridin-2-yl(quinolin-7-yl)methanamine
CID 81220993

Frequently Asked Questions

What is the IUPAC name of quinolin-7-yl(1,3-thiazol-4-yl)methanol?
The IUPAC name of quinolin-7-yl(1,3-thiazol-4-yl)methanol (CID 81220836) is quinolin-7-yl(1,3-thiazol-4-yl)methanol.
What is the SMILES notation for quinolin-7-yl(1,3-thiazol-4-yl)methanol?
The canonical SMILES for quinolin-7-yl(1,3-thiazol-4-yl)methanol is OC(c1ccc2cccnc2c1)c1cscn1.
What is the InChIKey of quinolin-7-yl(1,3-thiazol-4-yl)methanol?
The InChIKey is CHKYWZSVWXWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-13(12-7-17-8-15-12)10-4-3-9-2-1-5-14-11(9)6-10/h1-8,13,16H.
What are the key properties of quinolin-7-yl(1,3-thiazol-4-yl)methanol?
quinolin-7-yl(1,3-thiazol-4-yl)methanol has a molecular weight of 242.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-yl(1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 81220836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).