1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol

C14H12N2OS — CID 112642535

IUPAC1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1nccc2ccccc12
InChIInChI=1S/C14H12N2OS/c17-13(7-11-8-15-9-18-11)14-12-4-2-1-3-10(12)5-6-16-14/h1-6,8-9,13,17H,7H2
InChIKeyMHCHOEYQQFGIME-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.97
Rot. Bonds3

About 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol

1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 112642535) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol
PubChem CID112642535
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol
SMILESOC(Cc1cncs1)c1nccc2ccccc12
InChIInChI=1S/C14H12N2OS/c17-13(7-11-8-15-9-18-11)14-12-4-2-1-3-10(12)5-6-16-14/h1-6,8-9,13,17H,7H2
InChIKeyMHCHOEYQQFGIME-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641866
1-(2-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 104789529
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanol
CID 112641839
1-isoquinolin-1-yl-3-phenylpropan-1-ol
CID 63950464
2-(3-chloro-4-fluorophenyl)-1-isoquinolin-1-ylethanol
CID 103039584
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830518
1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 107985817
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 130594756

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol (CID 112642535) is 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol is OC(Cc1cncs1)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is MHCHOEYQQFGIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-13(7-11-8-15-9-18-11)14-12-4-2-1-3-10(12)5-6-16-14/h1-6,8-9,13,17H,7H2.
What are the key properties of 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol?
1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 256.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 112642535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).