3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine

C11H7BrN2S2 — CID 18450781

IUPAC3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2ccsc2)c2scc(Br)c12
InChIInChI=1S/C11H7BrN2S2/c12-8-5-16-10-7(6-1-2-15-4-6)3-14-11(13)9(8)10/h1-5H,(H2,13,14)
InChIKeyONWGKMMKYAXPOF-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.37
Rot. Bonds1

About 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine

3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine (PubChem CID 18450781) has the molecular formula C11H7BrN2S2 and a molecular weight of 311.23 g/mol. Its IUPAC name is 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine
PubChem CID18450781
Molecular FormulaC11H7BrN2S2
Molecular Weight311.23 g/mol
Exact Mass309.92
IUPAC Name3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2ccsc2)c2scc(Br)c12
InChIInChI=1S/C11H7BrN2S2/c12-8-5-16-10-7(6-1-2-15-4-6)3-14-11(13)9(8)10/h1-5H,(H2,13,14)
InChIKeyONWGKMMKYAXPOF-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine (CID 18450781) is 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine is Nc1ncc(-c2ccsc2)c2scc(Br)c12.
What is the InChIKey of 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine?
The InChIKey is ONWGKMMKYAXPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2S2/c12-8-5-16-10-7(6-1-2-15-4-6)3-14-11(13)9(8)10/h1-5H,(H2,13,14).
What are the key properties of 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine?
3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine has a molecular weight of 311.23 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-thiophen-3-ylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 18450781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).