6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine

C14H19N3OS — CID 61475220

IUPAC6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
SMILESCCOc1nc(NC(C)c2ccc(C)s2)ccc1N
InChIInChI=1S/C14H19N3OS/c1-4-18-14-11(15)6-8-13(17-14)16-10(3)12-7-5-9(2)19-12/h5-8,10H,4,15H2,1-3H3,(H,16,17)
InChIKeyILQGTIRKZWIXPK-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.61
Rot. Bonds5

About 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine

6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 61475220) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID61475220
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
SMILESCCOc1nc(NC(C)c2ccc(C)s2)ccc1N
InChIInChI=1S/C14H19N3OS/c1-4-18-14-11(15)6-8-13(17-14)16-10(3)12-7-5-9(2)19-12/h5-8,10H,4,15H2,1-3H3,(H,16,17)
InChIKeyILQGTIRKZWIXPK-UHFFFAOYSA-N
XLogP3.61
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
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-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine (CID 61475220) is 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine is CCOc1nc(NC(C)c2ccc(C)s2)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is ILQGTIRKZWIXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-18-14-11(15)6-8-13(17-14)16-10(3)12-7-5-9(2)19-12/h5-8,10H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine?
6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 277.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 61475220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).