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

C13H11N3S — CID 18450753

IUPAC3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ccc(-c2csc3ccnc(N)c23)cc1
InChIInChI=1S/C13H11N3S/c14-9-3-1-8(2-4-9)10-7-17-11-5-6-16-13(15)12(10)11/h1-7H,14H2,(H2,15,16)
InChIKeyRSUCBZJSTXEGSF-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.13
Rot. Bonds1

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

3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 18450753) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID18450753
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ccc(-c2csc3ccnc(N)c23)cc1
InChIInChI=1S/C13H11N3S/c14-9-3-1-8(2-4-9)10-7-17-11-5-6-16-13(15)12(10)11/h1-7H,14H2,(H2,15,16)
InChIKeyRSUCBZJSTXEGSF-UHFFFAOYSA-N
XLogP3.13
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.13
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 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine (CID 18450753) is 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine is Nc1ccc(-c2csc3ccnc(N)c23)cc1.
What is the InChIKey of 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is RSUCBZJSTXEGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-9-3-1-8(2-4-9)10-7-17-11-5-6-16-13(15)12(10)11/h1-7H,14H2,(H2,15,16).
What are the key properties of 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine?
3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 241.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 18450753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).