N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine

C13H16N2OS — CID 133366334

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine
SMILESC=C(C)COCCNc1ccnc2ccsc12
InChIInChI=1S/C13H16N2OS/c1-10(2)9-16-7-6-15-11-3-5-14-12-4-8-17-13(11)12/h3-5,8H,1,6-7,9H2,2H3,(H,14,15)
InChIKeySDBKQGFZLVYIRL-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine

N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 133366334) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine
PubChem CID133366334
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine
SMILESC=C(C)COCCNc1ccnc2ccsc12
InChIInChI=1S/C13H16N2OS/c1-10(2)9-16-7-6-15-11-3-5-14-12-4-8-17-13(11)12/h3-5,8H,1,6-7,9H2,2H3,(H,14,15)
InChIKeySDBKQGFZLVYIRL-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine (CID 133366334) is N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine is C=C(C)COCCNc1ccnc2ccsc12.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is SDBKQGFZLVYIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(2)9-16-7-6-15-11-3-5-14-12-4-8-17-13(11)12/h3-5,8H,1,6-7,9H2,2H3,(H,14,15).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 248.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 133366334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).