4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid

C12H15N3O2S — CID 53320598

IUPAC4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCN(C)CCNc1nc(C(=O)O)cc2sccc12
InChIInChI=1S/C12H15N3O2S/c1-15(2)5-4-13-11-8-3-6-18-10(8)7-9(14-11)12(16)17/h3,6-7H,4-5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyTYNCMHPUNYXTKU-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.97
Rot. Bonds5

About 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid

4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53320598) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53320598
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid
SMILESCN(C)CCNc1nc(C(=O)O)cc2sccc12
InChIInChI=1S/C12H15N3O2S/c1-15(2)5-4-13-11-8-3-6-18-10(8)7-9(14-11)12(16)17/h3,6-7H,4-5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyTYNCMHPUNYXTKU-UHFFFAOYSA-N
XLogP1.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid (CID 53320598) is 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid is CN(C)CCNc1nc(C(=O)O)cc2sccc12.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is TYNCMHPUNYXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15(2)5-4-13-11-8-3-6-18-10(8)7-9(14-11)12(16)17/h3,6-7H,4-5H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid?
4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 265.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53320598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).