3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile

C14H15N3S — CID 5286423

IUPAC3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
SMILESC/C=C/Cc1c(C)nc2sc(C#N)c(N)c2c1C
InChIInChI=1S/C14H15N3S/c1-4-5-6-10-8(2)12-13(16)11(7-15)18-14(12)17-9(10)3/h4-5H,6,16H2,1-3H3/b5-4+
InChIKeyMKTGIKNCDZQQNY-SNAWJCMRSA-N
MW257.36 g/mol
LogP3.49
Rot. Bonds2

About 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 5286423) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID5286423
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
SMILESC/C=C/Cc1c(C)nc2sc(C#N)c(N)c2c1C
InChIInChI=1S/C14H15N3S/c1-4-5-6-10-8(2)12-13(16)11(7-15)18-14(12)17-9(10)3/h4-5H,6,16H2,1-3H3/b5-4+
InChIKeyMKTGIKNCDZQQNY-SNAWJCMRSA-N
XLogP3.49
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile (CID 5286423) is 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile is C/C=C/Cc1c(C)nc2sc(C#N)c(N)c2c1C.
What is the InChIKey of 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is MKTGIKNCDZQQNY-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H15N3S/c1-4-5-6-10-8(2)12-13(16)11(7-15)18-14(12)17-9(10)3/h4-5H,6,16H2,1-3H3/b5-4+.
What are the key properties of 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(E)-but-2-enyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 5286423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).