4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine

C11H13BrN2S — CID 130572518

IUPAC4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine
SMILESCCN(CC)c1ncc(Br)c2ccsc12
InChIInChI=1S/C11H13BrN2S/c1-3-14(4-2)11-10-8(5-6-15-10)9(12)7-13-11/h5-7H,3-4H2,1-2H3
InChIKeyRXXJJQAXTBPPGS-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.90
Rot. Bonds3

About 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine

4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine (PubChem CID 130572518) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine
PubChem CID130572518
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine
SMILESCCN(CC)c1ncc(Br)c2ccsc12
InChIInChI=1S/C11H13BrN2S/c1-3-14(4-2)11-10-8(5-6-15-10)9(12)7-13-11/h5-7H,3-4H2,1-2H3
InChIKeyRXXJJQAXTBPPGS-UHFFFAOYSA-N
XLogP3.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine?
The IUPAC name of 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine (CID 130572518) is 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine.
What is the SMILES notation for 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine?
The canonical SMILES for 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine is CCN(CC)c1ncc(Br)c2ccsc12.
What is the InChIKey of 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine?
The InChIKey is RXXJJQAXTBPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S/c1-3-14(4-2)11-10-8(5-6-15-10)9(12)7-13-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine?
4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine has a molecular weight of 285.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethylthieno[2,3-c]pyridin-7-amine is sourced from PubChem (CID 130572518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).