2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol

C13H16N2OS — CID 104823085

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)Cc2nc(C)c(C)s2)cn1
InChIInChI=1S/C13H16N2OS/c1-8-4-5-11(7-14-8)12(16)6-13-15-9(2)10(3)17-13/h4-5,7,12,16H,6H2,1-3H3
InChIKeyZRQCGKLPKLBOJN-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.74
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol (PubChem CID 104823085) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
PubChem CID104823085
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(O)Cc2nc(C)c(C)s2)cn1
InChIInChI=1S/C13H16N2OS/c1-8-4-5-11(7-14-8)12(16)6-13-15-9(2)10(3)17-13/h4-5,7,12,16H,6H2,1-3H3
InChIKeyZRQCGKLPKLBOJN-UHFFFAOYSA-N
XLogP2.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63156001
2-(furan-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823068
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
CID 170817362
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
1-(6-methyl-3-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046410
2-(cyclohexen-1-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 116660276
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 115826177
3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846232
1-(5-chloroquinolin-8-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115960088

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol (CID 104823085) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol is Cc1ccc(C(O)Cc2nc(C)c(C)s2)cn1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol?
The InChIKey is ZRQCGKLPKLBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-4-5-11(7-14-8)12(16)6-13-15-9(2)10(3)17-13/h4-5,7,12,16H,6H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol has a molecular weight of 248.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 104823085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).