1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone

C12H12N2OS — CID 105126213

IUPAC1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCc1ccc(C(=O)Cc2cncs2)c(C)n1
InChIInChI=1S/C12H12N2OS/c1-8-3-4-11(9(2)14-8)12(15)5-10-6-13-7-16-10/h3-4,6-7H,5H2,1-2H3
InChIKeyILYCHGKAYZWQMF-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.58
Rot. Bonds3

About 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone

1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 105126213) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID105126213
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCc1ccc(C(=O)Cc2cncs2)c(C)n1
InChIInChI=1S/C12H12N2OS/c1-8-3-4-11(9(2)14-8)12(15)5-10-6-13-7-16-10/h3-4,6-7H,5H2,1-2H3
InChIKeyILYCHGKAYZWQMF-UHFFFAOYSA-N
XLogP2.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796085
1-(3-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 115795942
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
1-(2-amino-4-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642327
1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one
CID 105077565
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642317
1-(6-amino-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 130646624
1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109982
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one
CID 11030369
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
CID 107890839
1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642213

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone (CID 105126213) is 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone is Cc1ccc(C(=O)Cc2cncs2)c(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is ILYCHGKAYZWQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-3-4-11(9(2)14-8)12(15)5-10-6-13-7-16-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 232.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 105126213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).