5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine

C12H16N2S — CID 166928411

IUPAC5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCCc1cc(C(C)(C)C)nc2scnc12
InChIInChI=1S/C12H16N2S/c1-5-8-6-9(12(2,3)4)14-11-10(8)13-7-15-11/h6-7H,5H2,1-4H3
InChIKeyBFBSEXILJYQQNI-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.55
Rot. Bonds1

About 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine

5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 166928411) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID166928411
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCCc1cc(C(C)(C)C)nc2scnc12
InChIInChI=1S/C12H16N2S/c1-5-8-6-9(12(2,3)4)14-11-10(8)13-7-15-11/h6-7H,5H2,1-4H3
InChIKeyBFBSEXILJYQQNI-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-ditert-butyl-[1,3]thiazolo[5,4-b]pyridine
CID 159647449
(5-bromo-[1,3]thiazolo[5,4-b]pyridin-7-yl)methanol
CID 175939673
7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine
CID 91236238
4-(bromomethyl)-2,6-ditert-butylpyridine
CID 12930888
7-ethyl-4-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 91016106
5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 83828889
2-tert-butyl-4-chloro-6-ethylpyridine
CID 158851083
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
6-bromo-2-tert-butyl-8-ethylquinoline-4-carboxylic acid
CID 82184140
2,4-ditert-butyl-6-ethoxypyridine
CID 176622096
2-(2-tert-butyl-8-ethylquinolin-4-yl)acetonitrile
CID 82448018
4-(2,2-dimethylpropyl)-7-methyl-1,3-benzothiazole
CID 91353241

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine (CID 166928411) is 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine is CCc1cc(C(C)(C)C)nc2scnc12.
What is the InChIKey of 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is BFBSEXILJYQQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-5-8-6-9(12(2,3)4)14-11-10(8)13-7-15-11/h6-7H,5H2,1-4H3.
What are the key properties of 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine?
5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 220.34 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-ethyl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 166928411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).