4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine

C13H10BrN3OS — CID 114203115

IUPAC4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3snc(C)c23)c(Br)c1
InChIInChI=1S/C13H10BrN3OS/c1-7-3-4-10(9(14)5-7)18-12-11-8(2)17-19-13(11)16-6-15-12/h3-6H,1-2H3
InChIKeyIXXURFDVCWIPKY-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.26
Rot. Bonds2

About 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine

4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine (PubChem CID 114203115) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
PubChem CID114203115
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3snc(C)c23)c(Br)c1
InChIInChI=1S/C13H10BrN3OS/c1-7-3-4-10(9(14)5-7)18-12-11-8(2)17-19-13(11)16-6-15-12/h3-6H,1-2H3
InChIKeyIXXURFDVCWIPKY-UHFFFAOYSA-N
XLogP4.26
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203118
4-(2-bromo-4-methylphenoxy)quinazolin-6-amine
CID 64588727
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38740235
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80860005
2-(2-bromo-4-methylphenoxy)pyrazine
CID 28602476
6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088
4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine
CID 61240355
6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631978
[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol
CID 113387912
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
CID 66342175
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
4-(2-methoxy-4-methylphenoxy)-5-methylthieno[2,3-d]pyrimidine
CID 91390321

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine (CID 114203115) is 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine is Cc1ccc(Oc2ncnc3snc(C)c23)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine?
The InChIKey is IXXURFDVCWIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c1-7-3-4-10(9(14)5-7)18-12-11-8(2)17-19-13(11)16-6-15-12/h3-6H,1-2H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine?
4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine has a molecular weight of 336.21 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 114203115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).