tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate

C19H26N2O4S — CID 141136668

IUPACtert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCc1c(C(=O)OC(C)(C)C)sc2ncc(OCCN3CCOCC3)cc12
InChIInChI=1S/C19H26N2O4S/c1-13-15-11-14(24-10-7-21-5-8-23-9-6-21)12-20-17(15)26-16(13)18(22)25-19(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyLRAIRYJGFHQFAI-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.27
Rot. Bonds5

About tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate

tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 141136668) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID141136668
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Nametert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCc1c(C(=O)OC(C)(C)C)sc2ncc(OCCN3CCOCC3)cc12
InChIInChI=1S/C19H26N2O4S/c1-13-15-11-14(24-10-7-21-5-8-23-9-6-21)12-20-17(15)26-16(13)18(22)25-19(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyLRAIRYJGFHQFAI-UHFFFAOYSA-N
XLogP3.27
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate
CID 131743232
3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651729
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888
tert-butyl 3-methyl-4-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]piperazine-1-carboxylate
CID 118555257
3-amino-N-tert-butyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 45142483
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 45376604
N-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
CID 11684115
tert-butyl (3S)-3-[4-(2-morpholin-4-ylethoxy)phenoxy]pyrrolidine-1-carboxylate
CID 165147867
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate (CID 141136668) is tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate is Cc1c(C(=O)OC(C)(C)C)sc2ncc(OCCN3CCOCC3)cc12.
What is the InChIKey of tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is LRAIRYJGFHQFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-13-15-11-14(24-10-7-21-5-8-23-9-6-21)12-20-17(15)26-16(13)18(22)25-19(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?
tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 378.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 141136668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).