5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine

C15H12N2S — CID 18785810

IUPAC5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
SMILESNC1=NC(C#Cc2ccccc2)Cc2ccsc21
InChIInChI=1S/C15H12N2S/c16-15-14-12(8-9-18-14)10-13(17-15)7-6-11-4-2-1-3-5-11/h1-5,8-9,13H,10H2,(H2,16,17)
InChIKeyJQSCZZYXNHKNCQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.43
Rot. Bonds

About 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine

5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine (PubChem CID 18785810) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
PubChem CID18785810
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
SMILESNC1=NC(C#Cc2ccccc2)Cc2ccsc21
InChIInChI=1S/C15H12N2S/c16-15-14-12(8-9-18-14)10-13(17-15)7-6-11-4-2-1-3-5-11/h1-5,8-9,13H,10H2,(H2,16,17)
InChIKeyJQSCZZYXNHKNCQ-UHFFFAOYSA-N
XLogP2.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The IUPAC name of 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine (CID 18785810) is 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine.
What is the SMILES notation for 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The canonical SMILES for 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine is NC1=NC(C#Cc2ccccc2)Cc2ccsc21.
What is the InChIKey of 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The InChIKey is JQSCZZYXNHKNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c16-15-14-12(8-9-18-14)10-13(17-15)7-6-11-4-2-1-3-5-11/h1-5,8-9,13H,10H2,(H2,16,17).
What are the key properties of 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine has a molecular weight of 252.34 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine is sourced from PubChem (CID 18785810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).