methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate

C5H5BrN2O2S — CID 74890602

IUPACmethyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Br)sc1N
InChIInChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3
InChIKeyZUZZOMNVTBAESU-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.27
Rot. Bonds1

About methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate

methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate (PubChem CID 74890602) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
PubChem CID74890602
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Namemethyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Br)sc1N
InChIInChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3
InChIKeyZUZZOMNVTBAESU-UHFFFAOYSA-N
XLogP1.27
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199710
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
CID 103199747
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725
methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate
CID 103199638
methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199632
methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate
CID 106510344
methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate
CID 103199691
methyl 5-amino-2-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxylate
CID 103199795
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate (CID 74890602) is methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate is COC(=O)c1nc(Br)sc1N.
What is the InChIKey of methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate?
The InChIKey is ZUZZOMNVTBAESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3.
What are the key properties of methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate has a molecular weight of 237.08 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 74890602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).