methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate

C17H15N3O3S2 — CID 25261815

IUPACmethyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1NC(=O)CCSc1ccccn1
InChIInChI=1S/C17H15N3O3S2/c1-23-17(22)15-14(11-5-4-9-19-16(11)25-15)20-12(21)7-10-24-13-6-2-3-8-18-13/h2-6,8-9H,7,10H2,1H3,(H,20,21)
InChIKeyUADOYSQUNWRUHT-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.60
Rot. Bonds6

About methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate

methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 25261815) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID25261815
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Namemethyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1NC(=O)CCSc1ccccn1
InChIInChI=1S/C17H15N3O3S2/c1-23-17(22)15-14(11-5-4-9-19-16(11)25-15)20-12(21)7-10-24-13-6-2-3-8-18-13/h2-6,8-9H,7,10H2,1H3,(H,20,21)
InChIKeyUADOYSQUNWRUHT-UHFFFAOYSA-N
XLogP3.60
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate (CID 25261815) is methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2ncccc2c1NC(=O)CCSc1ccccn1.
What is the InChIKey of methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is UADOYSQUNWRUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-23-17(22)15-14(11-5-4-9-19-16(11)25-15)20-12(21)7-10-24-13-6-2-3-8-18-13/h2-6,8-9H,7,10H2,1H3,(H,20,21).
What are the key properties of methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-pyridin-2-ylsulfanylpropanoylamino)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 25261815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).