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

C13H10BrN3OS — CID 114203118

IUPAC4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
SMILESCc1cc(Br)ccc1Oc1ncnc2snc(C)c12
InChIInChI=1S/C13H10BrN3OS/c1-7-5-9(14)3-4-10(7)18-12-11-8(2)17-19-13(11)16-6-15-12/h3-6H,1-2H3
InChIKeyMUXVYFBZNZODBD-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.26
Rot. Bonds2

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

4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine (PubChem CID 114203118) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
PubChem CID114203118
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
SMILESCc1cc(Br)ccc1Oc1ncnc2snc(C)c12
InChIInChI=1S/C13H10BrN3OS/c1-7-5-9(14)3-4-10(7)18-12-11-8(2)17-19-13(11)16-6-15-12/h3-6H,1-2H3
InChIKeyMUXVYFBZNZODBD-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-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203115
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80633834
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
3-(4-bromo-2-methylphenoxy)pyrazine-2-carbothioamide
CID 55161140
[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455
3-(4-bromo-2-methylphenoxy)-1H-pyrazin-2-one
CID 114570737
5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 107730175
4-(4-bromo-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332537
[5-bromo-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 102687112

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine (CID 114203118) is 4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine is Cc1cc(Br)ccc1Oc1ncnc2snc(C)c12.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine?
The InChIKey is MUXVYFBZNZODBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c1-7-5-9(14)3-4-10(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-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine?
4-(4-bromo-2-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-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 114203118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).