4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole

C11H10BrNOS — CID 886409

IUPAC4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2csc(C)n2)cc1Br
InChIInChI=1S/C11H10BrNOS/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3
InChIKeyOMSSNTRYIIEBGA-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.89
Rot. Bonds2

About 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole

4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole (PubChem CID 886409) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole
PubChem CID886409
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2csc(C)n2)cc1Br
InChIInChI=1S/C11H10BrNOS/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3
InChIKeyOMSSNTRYIIEBGA-UHFFFAOYSA-N
XLogP3.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
2-(5-Bromo-2-methoxyphenyl)-4-(chloromethyl)-1,3-thiazole hydrochloride
CID 16196025
4-(4-Methoxy-phenyl)-2-(2-methyl-tetrahydro-pyran-4-yl)-thiazole
CID 16682543
2-(3-Bromo-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole
CID 11674475
2-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482058
4-(3,4-Dimethoxyphenyl)-2-methyl-1,3-thiazole
CID 332398
4-(4-Methoxy-phenyl)-2-methyl-thiazole
CID 768765
4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole hydrochloride
CID 16196890
(4-(4-Methoxyphenyl)-1,3-thiazol-2-YL)acetonitrile
CID 2337310
4-(Chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
CID 2517656
(2E)-3-(4-Bromophenyl)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-YL]prop-2-enenitrile
CID 5943712
2-(2-ethyl-2-methyltetrahydro-2H-thiopyran-4-yl)-4-(4-methoxyphenyl)-1,3-thiazole hydrobromide
CID 2836704

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole (CID 886409) is 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole is COc1ccc(-c2csc(C)n2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole?
The InChIKey is OMSSNTRYIIEBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-7-13-10(6-15-7)8-3-4-11(14-2)9(12)5-8/h3-6H,1-2H3.
What are the key properties of 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole?
4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole has a molecular weight of 284.18 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 886409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).