ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate

C17H18N2O3S3 — CID 118059020

IUPACethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate
SMILESCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)OCC)c2c1N
InChIInChI=1S/C17H18N2O3S3/c1-3-8-25(21)17-14(18)13-10(16(20)22-4-2)9-11(19-15(13)24-17)12-6-5-7-23-12/h5-7,9H,3-4,8,18H2,1-2H3
InChIKeyGAZFYONUHWJNBP-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.30
Rot. Bonds6

About ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate

ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate (PubChem CID 118059020) has the molecular formula C17H18N2O3S3 and a molecular weight of 394.54 g/mol. Its IUPAC name is ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate
PubChem CID118059020
Molecular FormulaC17H18N2O3S3
Molecular Weight394.54 g/mol
Exact Mass394.05
IUPAC Nameethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate
SMILESCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)OCC)c2c1N
InChIInChI=1S/C17H18N2O3S3/c1-3-8-25(21)17-14(18)13-10(16(20)22-4-2)9-11(19-15(13)24-17)12-6-5-7-23-12/h5-7,9H,3-4,8,18H2,1-2H3
InChIKeyGAZFYONUHWJNBP-UHFFFAOYSA-N
XLogP4.30
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate (CID 118059020) is ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate is CCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)OCC)c2c1N.
What is the InChIKey of ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate?
The InChIKey is GAZFYONUHWJNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S3/c1-3-8-25(21)17-14(18)13-10(16(20)22-4-2)9-11(19-15(13)24-17)12-6-5-7-23-12/h5-7,9H,3-4,8,18H2,1-2H3.
What are the key properties of ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate?
ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate has a molecular weight of 394.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-propylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 118059020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).