5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole

C11H9ClF3N3OS — CID 106784291

IUPAC5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCCOCc1nc(Cl)cc(-c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C11H9ClF3N3OS/c1-2-19-5-9-17-6(3-8(12)18-9)7-4-16-10(20-7)11(13,14)15/h3-4H,2,5H2,1H3
InChIKeyRHLHTOCTHSHVOT-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.81
Rot. Bonds4

About 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole

5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784291) has the molecular formula C11H9ClF3N3OS and a molecular weight of 323.73 g/mol. Its IUPAC name is 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784291
Molecular FormulaC11H9ClF3N3OS
Molecular Weight323.73 g/mol
Exact Mass323.01
IUPAC Name5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCCOCc1nc(Cl)cc(-c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C11H9ClF3N3OS/c1-2-19-5-9-17-6(3-8(12)18-9)7-4-16-10(20-7)11(13,14)15/h3-4H,2,5H2,1H3
InChIKeyRHLHTOCTHSHVOT-UHFFFAOYSA-N
XLogP3.81
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784301
6-chloro-2-(ethoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 114131045
4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine
CID 113401165
2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784394
4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 106715359
4-(3-bromo-2,6-difluorophenyl)-6-chloro-2-(ethoxymethyl)pyrimidine
CID 106943650
4-chloro-2-(ethoxymethyl)-6-(3-propylphenyl)pyrimidine
CID 116545984
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432075
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine
CID 106665560
6-chloro-N-cyclohexyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 113400782

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole (CID 106784291) is 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole is CCOCc1nc(Cl)cc(-c2cnc(C(F)(F)F)s2)n1.
What is the InChIKey of 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RHLHTOCTHSHVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3OS/c1-2-19-5-9-17-6(3-8(12)18-9)7-4-16-10(20-7)11(13,14)15/h3-4H,2,5H2,1H3.
What are the key properties of 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole?
5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 323.73 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).