6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine

C15H19N3OS — CID 62840803

IUPAC6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine
SMILESCCOc1nc(NC2CCCc3sccc32)ccc1N
InChIInChI=1S/C15H19N3OS/c1-2-19-15-11(16)6-7-14(18-15)17-12-4-3-5-13-10(12)8-9-20-13/h6-9,12H,2-5,16H2,1H3,(H,17,18)
InChIKeyNAZXFFMPWSBYTI-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.61
Rot. Bonds4

About 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine

6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine (PubChem CID 62840803) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine
PubChem CID62840803
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine
SMILESCCOc1nc(NC2CCCc3sccc32)ccc1N
InChIInChI=1S/C15H19N3OS/c1-2-19-15-11(16)6-7-14(18-15)17-12-4-3-5-13-10(12)8-9-20-13/h6-9,12H,2-5,16H2,1H3,(H,17,18)
InChIKeyNAZXFFMPWSBYTI-UHFFFAOYSA-N
XLogP3.61
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine (CID 62840803) is 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine is CCOc1nc(NC2CCCc3sccc32)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine?
The InChIKey is NAZXFFMPWSBYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-19-15-11(16)6-7-14(18-15)17-12-4-3-5-13-10(12)8-9-20-13/h6-9,12H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine?
6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine has a molecular weight of 289.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine is sourced from PubChem (CID 62840803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).