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

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

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Related Compounds

3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 738459
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
Ethyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 753891
Methyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 689249
Methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
Methyl 3-aminothieno(2,3-b)pyridine-2-carboxylate
CID 2820896
Methyl 2-(pyridine-3-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 1277419
Ethyl 4-(dimethylamino)-3-{[(methoxyimino)methyl]amino}thieno[2,3-b]pyridine-2-carboxylate
CID 2765718
N-butyl-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 3236725
Methyl 6-[[(2-ethoxy-2-oxoethyl)-methylamino]methyl]-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 45175893
Methyl 6-[[butyl(methyl)amino]methyl]-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 45489124

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).