1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C11H13N3OS — CID 115528070

IUPAC1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nccc(C(O)Cc2csc(C)n2)n1
InChIInChI=1S/C11H13N3OS/c1-7-12-4-3-10(13-7)11(15)5-9-6-16-8(2)14-9/h3-4,6,11,15H,5H2,1-2H3
InChIKeyPYXHCCLFPRDMRL-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 115528070) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID115528070
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nccc(C(O)Cc2csc(C)n2)n1
InChIInChI=1S/C11H13N3OS/c1-7-12-4-3-10(13-7)11(15)5-9-6-16-8(2)14-9/h3-4,6,11,15H,5H2,1-2H3
InChIKeyPYXHCCLFPRDMRL-UHFFFAOYSA-N
XLogP1.83
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115531098
1-(2-methylpyrimidin-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 115527999
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
CID 62799154
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
2-(furan-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 83171939
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
4-amino-1-(2-methylpyrimidin-4-yl)butan-1-ol
CID 82408295
3-hydroxy-3-(2-methylpyrimidin-4-yl)propanal
CID 114795373

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 115528070) is 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nccc(C(O)Cc2csc(C)n2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is PYXHCCLFPRDMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-12-4-3-10(13-7)11(15)5-9-6-16-8(2)14-9/h3-4,6,11,15H,5H2,1-2H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 235.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 115528070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).