tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate

C13H16N2O2S — CID 165075264

IUPACtert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate
SMILESCNc1c(C(=O)OC(C)(C)C)sc2ncccc12
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)17-12(16)10-9(14-4)8-6-5-7-15-11(8)18-10/h5-7,14H,1-4H3
InChIKeyZMQMQNCJRZMLEJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.29
Rot. Bonds2

About tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate

tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 165075264) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID165075264
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Nametert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate
SMILESCNc1c(C(=O)OC(C)(C)C)sc2ncccc12
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)17-12(16)10-9(14-4)8-6-5-7-15-11(8)18-10/h5-7,14H,1-4H3
InChIKeyZMQMQNCJRZMLEJ-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate 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

methyl 3-(2-phenylethylamino)thieno[2,3-b]pyridine-2-carboxylate
CID 156621154
3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 54710086
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
methyl 3-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]thieno[2,3-b]pyridine-2-carboxylate
CID 25286477
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
methyl 3-(methylamino)-1-benzothiophene-2-carboxylate
CID 12789528
tert-butyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 133061351
methyl 3-diethoxyphosphoryloxythieno[2,3-b]pyridine-2-carboxylate
CID 69220215
dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
CID 159666446
phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
CID 67872823
tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666
tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate
CID 15342494

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate (CID 165075264) is tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate is CNc1c(C(=O)OC(C)(C)C)sc2ncccc12.
What is the InChIKey of tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is ZMQMQNCJRZMLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(2,3)17-12(16)10-9(14-4)8-6-5-7-15-11(8)18-10/h5-7,14H,1-4H3.
What are the key properties of tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate?
tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methylamino)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 165075264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).