N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine

C12H14N2S — CID 115628494

IUPACN-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
SMILESC/C=C/CCNc1nccc2sccc12
InChIInChI=1S/C12H14N2S/c1-2-3-4-7-13-12-10-6-9-15-11(10)5-8-14-12/h2-3,5-6,8-9H,4,7H2,1H3,(H,13,14)/b3-2+
InChIKeyNYQYDQHVEDSICJ-NSCUHMNNSA-N
MW218.33 g/mol
LogP3.67
Rot. Bonds4

About N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine

N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 115628494) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
PubChem CID115628494
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC NameN-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine
SMILESC/C=C/CCNc1nccc2sccc12
InChIInChI=1S/C12H14N2S/c1-2-3-4-7-13-12-10-6-9-15-11(10)5-8-14-12/h2-3,5-6,8-9H,4,7H2,1H3,(H,13,14)/b3-2+
InChIKeyNYQYDQHVEDSICJ-NSCUHMNNSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine (CID 115628494) is N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine is C/C=C/CCNc1nccc2sccc12.
What is the InChIKey of N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is NYQYDQHVEDSICJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-3-4-7-13-12-10-6-9-15-11(10)5-8-14-12/h2-3,5-6,8-9H,4,7H2,1H3,(H,13,14)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine?
N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 218.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 115628494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).