N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine

C15H15N3S — CID 60871189

IUPACN-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine
SMILESCC(Nc1nccc2sccc12)c1ccc(N)cc1
InChIInChI=1S/C15H15N3S/c1-10(11-2-4-12(16)5-3-11)18-15-13-7-9-19-14(13)6-8-17-15/h2-10H,16H2,1H3,(H,17,18)
InChIKeyKYJPCJHQKXRNSV-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.05
Rot. Bonds3

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

N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 60871189) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine
PubChem CID60871189
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine
SMILESCC(Nc1nccc2sccc12)c1ccc(N)cc1
InChIInChI=1S/C15H15N3S/c1-10(11-2-4-12(16)5-3-11)18-15-13-7-9-19-14(13)6-8-17-15/h2-10H,16H2,1H3,(H,17,18)
InChIKeyKYJPCJHQKXRNSV-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine (CID 60871189) is N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine is CC(Nc1nccc2sccc12)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is KYJPCJHQKXRNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10(11-2-4-12(16)5-3-11)18-15-13-7-9-19-14(13)6-8-17-15/h2-10H,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine?
N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 60871189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).