methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate

C12H9BrClNO3S — CID 83133098

IUPACmethyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2ccc(Br)c(C)c2)nc1Cl
InChIInChI=1S/C12H9BrClNO3S/c1-6-5-7(3-4-8(6)13)18-12-15-10(14)9(19-12)11(16)17-2/h3-5H,1-2H3
InChIKeyRCAXLISJFOKCPW-UHFFFAOYSA-N
MW362.63 g/mol
LogP4.45
Rot. Bonds3

About methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate

methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate (PubChem CID 83133098) has the molecular formula C12H9BrClNO3S and a molecular weight of 362.63 g/mol. Its IUPAC name is methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
PubChem CID83133098
Molecular FormulaC12H9BrClNO3S
Molecular Weight362.63 g/mol
Exact Mass360.92
IUPAC Namemethyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2ccc(Br)c(C)c2)nc1Cl
InChIInChI=1S/C12H9BrClNO3S/c1-6-5-7(3-4-8(6)13)18-12-15-10(14)9(19-12)11(16)17-2/h3-5H,1-2H3
InChIKeyRCAXLISJFOKCPW-UHFFFAOYSA-N
XLogP4.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.63
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-tert-butylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 61057856
methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
CID 54915221
methyl 2-(4-acetamidophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 133424442
methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61228562
methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210
methyl 2-(3-bromo-5-nitrophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 103588596
methyl 4-chloro-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole-5-carboxylate
CID 64854826
methyl 2-(4-bromo-3-iodoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 114261157
methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
CID 63649663
methyl 4-chloro-2-(2-chloro-4-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61057861
methyl 4-chloro-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61037086
methyl 4-chloro-2-(2-methyl-3-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61057400

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate (CID 83133098) is methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Oc2ccc(Br)c(C)c2)nc1Cl.
What is the InChIKey of methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate?
The InChIKey is RCAXLISJFOKCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3S/c1-6-5-7(3-4-8(6)13)18-12-15-10(14)9(19-12)11(16)17-2/h3-5H,1-2H3.
What are the key properties of methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate?
methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate has a molecular weight of 362.63 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 83133098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).