methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

C8H5BrN2O2S — CID 76849980

IUPACmethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(Br)sc2c1
InChIInChI=1S/C8H5BrN2O2S/c1-13-7(12)4-2-5-6(10-3-4)11-8(9)14-5/h2-3H,1H3
InChIKeySZEWOERXGDSZBS-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.24
Rot. Bonds1

About methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 76849980) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID76849980
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Namemethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2nc(Br)sc2c1
InChIInChI=1S/C8H5BrN2O2S/c1-13-7(12)4-2-5-6(10-3-4)11-8(9)14-5/h2-3H,1H3
InChIKeySZEWOERXGDSZBS-UHFFFAOYSA-N
XLogP2.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
CID 68517105
2-Amino-(1,3)thiazolo(4,5-b)pyridine-6-carboxylic acid
CID 83667879
Ethyl 2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 117275708
1,3-Thiazol-5-ylmethyl 6-pyrrolidin-1-ylpyridine-3-carboxylate
CID 75510327
Methyl 2-(5-fluoro-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 121379369
Methyl 2-(2-fluoropropan-2-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 138688244
Methyl thieno[2,3-d]pyrimidine-6-carboxylate;2,2,2-trifluoroacetic acid
CID 161691714
Methyl 7-thia-2,4,5,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene-10-carboxylate
CID 162412485
Methyl 3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 132580637
2-(2,2,2-Trifluoroacetamido)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
CID 165943222
Methyl thieno[2,3-d]pyrimidine-6-carboxylate
CID 17965832
Methyl 4-aminothieno[2,3-d]pyrimidine-6-carboxylate
CID 21782001

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 76849980) is methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc2nc(Br)sc2c1.
What is the InChIKey of methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is SZEWOERXGDSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c1-13-7(12)4-2-5-6(10-3-4)11-8(9)14-5/h2-3H,1H3.
What are the key properties of methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 273.11 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 76849980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).