N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine

C15H15N3S — CID 63761841

IUPACN-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine
SMILESCC(N)c1ccccc1Nc1nccc2sccc12
InChIInChI=1S/C15H15N3S/c1-10(16)11-4-2-3-5-13(11)18-15-12-7-9-19-14(12)6-8-17-15/h2-10H,16H2,1H3,(H,17,18)
InChIKeyDNBRLIPVYQHNPR-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.06
Rot. Bonds3

About N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine

N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 63761841) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine
PubChem CID63761841
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine
SMILESCC(N)c1ccccc1Nc1nccc2sccc12
InChIInChI=1S/C15H15N3S/c1-10(16)11-4-2-3-5-13(11)18-15-12-7-9-19-14(12)6-8-17-15/h2-10H,16H2,1H3,(H,17,18)
InChIKeyDNBRLIPVYQHNPR-UHFFFAOYSA-N
XLogP4.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine (CID 63761841) is N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine is CC(N)c1ccccc1Nc1nccc2sccc12.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is DNBRLIPVYQHNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10(16)11-4-2-3-5-13(11)18-15-12-7-9-19-14(12)6-8-17-15/h2-10H,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine?
N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 63761841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).