1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol

C12H14N2OS — CID 67759661

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol
SMILESCc1nc(C)c(C(O)Cc2ccccn2)s1
InChIInChI=1S/C12H14N2OS/c1-8-12(16-9(2)14-8)11(15)7-10-5-3-4-6-13-10/h3-6,11,15H,7H2,1-2H3
InChIKeyXWFHCJLYXIMFAJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.43
Rot. Bonds3

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol (PubChem CID 67759661) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol
PubChem CID67759661
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol
SMILESCc1nc(C)c(C(O)Cc2ccccn2)s1
InChIInChI=1S/C12H14N2OS/c1-8-12(16-9(2)14-8)11(15)7-10-5-3-4-6-13-10/h3-6,11,15H,7H2,1-2H3
InChIKeyXWFHCJLYXIMFAJ-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dipyridin-2-ylethanol
CID 11458306
1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112508
1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol
CID 66461092
1-[4-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752452
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
1-(2-iodophenyl)-2-pyridin-2-ylethanol
CID 66459481
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977321
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
2-(2-chloro-5-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
CID 114033903

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol (CID 67759661) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol is Cc1nc(C)c(C(O)Cc2ccccn2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol?
The InChIKey is XWFHCJLYXIMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-12(16-9(2)14-8)11(15)7-10-5-3-4-6-13-10/h3-6,11,15H,7H2,1-2H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol has a molecular weight of 234.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridin-2-ylethanol is sourced from PubChem (CID 67759661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).