2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole

C9H5BrF3N3OS — CID 166087915

IUPAC2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cnc(COc2nccc(Br)n2)s1
InChIInChI=1S/C9H5BrF3N3OS/c10-6-1-2-14-8(16-6)17-4-7-15-3-5(18-7)9(11,12)13/h1-3H,4H2
InChIKeyZKNXWQSAICSAFY-UHFFFAOYSA-N
MW340.12 g/mol
LogP3.29
Rot. Bonds3

About 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole

2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 166087915) has the molecular formula C9H5BrF3N3OS and a molecular weight of 340.12 g/mol. Its IUPAC name is 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole
PubChem CID166087915
Molecular FormulaC9H5BrF3N3OS
Molecular Weight340.12 g/mol
Exact Mass338.93
IUPAC Name2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cnc(COc2nccc(Br)n2)s1
InChIInChI=1S/C9H5BrF3N3OS/c10-6-1-2-14-8(16-6)17-4-7-15-3-5(18-7)9(11,12)13/h1-3H,4H2
InChIKeyZKNXWQSAICSAFY-UHFFFAOYSA-N
XLogP3.29
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole
CID 166088349
[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 167734686
4-bromo-2-(trifluoromethyl)pyrimidine
CID 53302344
4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine
CID 166089342
2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole
CID 166087876
2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole
CID 166088216
2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 90379560
2-(4,4-dimethylpentoxy)-4-(trifluoromethyl)pyrimidine
CID 59026288
5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784270
5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 117188254
2-(4-bromopyrimidin-2-yl)ethanol
CID 58711754

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole (CID 166087915) is 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1cnc(COc2nccc(Br)n2)s1.
What is the InChIKey of 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZKNXWQSAICSAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF3N3OS/c10-6-1-2-14-8(16-6)17-4-7-15-3-5(18-7)9(11,12)13/h1-3H,4H2.
What are the key properties of 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole?
2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 340.12 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopyrimidin-2-yl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166087915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).