ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate

C14H18N2O2S — CID 79471397

IUPACethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc2cccnc2s1
InChIInChI=1S/C14H18N2O2S/c1-4-14(5-2,13(17)18-6-3)12-16-10-8-7-9-15-11(10)19-12/h7-9H,4-6H2,1-3H3
InChIKeyOEZGNNSKKCXVOD-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.31
Rot. Bonds5

About ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate

ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate (PubChem CID 79471397) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate
PubChem CID79471397
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Nameethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate
SMILESCCOC(=O)C(CC)(CC)c1nc2cccnc2s1
InChIInChI=1S/C14H18N2O2S/c1-4-14(5-2,13(17)18-6-3)12-16-10-8-7-9-15-11(10)19-12/h7-9H,4-6H2,1-3H3
InChIKeyOEZGNNSKKCXVOD-UHFFFAOYSA-N
XLogP3.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfinyl)propanoate
CID 15035781
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)pentan-2-amine
CID 65335738
2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-amine
CID 115428036
2,2-difluoro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
CID 130600704
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
1-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-amine
CID 65335679
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
ethyl 2-hydroxy-2-phenyl-2-(1,3-thiazol-2-yl)acetate
CID 121000290
ethyl butanoate;quinoline
CID 174829531
triethyl 2-pyridin-3-ylpropane-1,2,3-tricarboxylate
CID 6710382
ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464930
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate?
The IUPAC name of ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate (CID 79471397) is ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate is CCOC(=O)C(CC)(CC)c1nc2cccnc2s1.
What is the InChIKey of ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate?
The InChIKey is OEZGNNSKKCXVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-14(5-2,13(17)18-6-3)12-16-10-8-7-9-15-11(10)19-12/h7-9H,4-6H2,1-3H3.
What are the key properties of ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate?
ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate has a molecular weight of 278.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate is sourced from PubChem (CID 79471397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).