methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate

C14H15N3O4S — CID 155514034

IUPACmethyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C(=O)N3CCOCC3)ccc2c1N
InChIInChI=1S/C14H15N3O4S/c1-20-14(19)11-10(15)8-2-3-9(16-12(8)22-11)13(18)17-4-6-21-7-5-17/h2-3H,4-7,15H2,1H3
InChIKeySDXKEIGZRBZRJY-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.14
Rot. Bonds2

About methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 155514034) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID155514034
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Namemethyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nc(C(=O)N3CCOCC3)ccc2c1N
InChIInChI=1S/C14H15N3O4S/c1-20-14(19)11-10(15)8-2-3-9(16-12(8)22-11)13(18)17-4-6-21-7-5-17/h2-3H,4-7,15H2,1H3
InChIKeySDXKEIGZRBZRJY-UHFFFAOYSA-N
XLogP1.14
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate (CID 155514034) is methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nc(C(=O)N3CCOCC3)ccc2c1N.
What is the InChIKey of methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is SDXKEIGZRBZRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-20-14(19)11-10(15)8-2-3-9(16-12(8)22-11)13(18)17-4-6-21-7-5-17/h2-3H,4-7,15H2,1H3.
What are the key properties of methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 321.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(morpholine-4-carbonyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 155514034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).