2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile

C14H15BrN4S — CID 69009258

IUPAC2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile
SMILESCN1CCC[C@H](Nc2ncc(C#N)c3sc(Br)cc23)C1
InChIInChI=1S/C14H15BrN4S/c1-19-4-2-3-10(8-19)18-14-11-5-12(15)20-13(11)9(6-16)7-17-14/h5,7,10H,2-4,8H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyQMOBCVNDOAAHHD-JTQLQIEISA-N
MW351.27 g/mol
LogP3.44
Rot. Bonds2

About 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile

2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile (PubChem CID 69009258) has the molecular formula C14H15BrN4S and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile
PubChem CID69009258
Molecular FormulaC14H15BrN4S
Molecular Weight351.27 g/mol
Exact Mass350.02
IUPAC Name2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile
SMILESCN1CCC[C@H](Nc2ncc(C#N)c3sc(Br)cc23)C1
InChIInChI=1S/C14H15BrN4S/c1-19-4-2-3-10(8-19)18-14-11-5-12(15)20-13(11)9(6-16)7-17-14/h5,7,10H,2-4,8H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyQMOBCVNDOAAHHD-JTQLQIEISA-N
XLogP3.44
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile (CID 69009258) is 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile is CN1CCC[C@H](Nc2ncc(C#N)c3sc(Br)cc23)C1.
What is the InChIKey of 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile?
The InChIKey is QMOBCVNDOAAHHD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN4S/c1-19-4-2-3-10(8-19)18-14-11-5-12(15)20-13(11)9(6-16)7-17-14/h5,7,10H,2-4,8H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile?
2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile has a molecular weight of 351.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(3S)-1-methylpiperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 69009258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).