tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate

C13H15BrN2O2S — CID 161167715

IUPACtert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate
SMILESCc1nc2c(Br)c(CC(=O)OC(C)(C)C)cnc2s1
InChIInChI=1S/C13H15BrN2O2S/c1-7-16-11-10(14)8(6-15-12(11)19-7)5-9(17)18-13(2,3)4/h6H,5H2,1-4H3
InChIKeyWBRLGSDXMXFBRH-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate

tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate (PubChem CID 161167715) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate
PubChem CID161167715
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Nametert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate
SMILESCc1nc2c(Br)c(CC(=O)OC(C)(C)C)cnc2s1
InChIInChI=1S/C13H15BrN2O2S/c1-7-16-11-10(14)8(6-15-12(11)19-7)5-9(17)18-13(2,3)4/h6H,5H2,1-4H3
InChIKeyWBRLGSDXMXFBRH-UHFFFAOYSA-N
XLogP3.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate 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

tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
CID 158284808
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 133058846
tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate
CID 131734298
tert-butyl 2-(3,5-dibromo-2-pyridinyl)acetate
CID 133061246
tert-butyl 2-(4-bromo-7-fluoro-1,3-benzothiazol-2-yl)acetate
CID 157269363
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 121231620
1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 159676346
tert-butyl 2-(3-cyano-6-methylpyrazin-2-yl)acetate
CID 170699897
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654
tert-butyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]peroxyphenyl]acetate
CID 88715166
tert-butyl 2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetate
CID 158940843

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate?
The IUPAC name of tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate (CID 161167715) is tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate.
What is the SMILES notation for tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate?
The canonical SMILES for tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate is Cc1nc2c(Br)c(CC(=O)OC(C)(C)C)cnc2s1.
What is the InChIKey of tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate?
The InChIKey is WBRLGSDXMXFBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-7-16-11-10(14)8(6-15-12(11)19-7)5-9(17)18-13(2,3)4/h6H,5H2,1-4H3.
What are the key properties of tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate?
tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate has a molecular weight of 343.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate is sourced from PubChem (CID 161167715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).