2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C20H16N4S2 — CID 12966419

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(C2=NCCN2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H16N4S2/c21-17-16-13(12-5-2-1-3-6-12)11-14(15-7-4-10-25-15)24-20(16)26-18(17)19-22-8-9-23-19/h1-7,10-11H,8-9,21H2,(H,22,23)
InChIKeyUJLSFKZUTWRQSD-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.62
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 12966419) has the molecular formula C20H16N4S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
PubChem CID12966419
Molecular FormulaC20H16N4S2
Molecular Weight376.51 g/mol
Exact Mass376.08
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESNc1c(C2=NCCN2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H16N4S2/c21-17-16-13(12-5-2-1-3-6-12)11-14(15-7-4-10-25-15)24-20(16)26-18(17)19-22-8-9-23-19/h1-7,10-11H,8-9,21H2,(H,22,23)
InChIKeyUJLSFKZUTWRQSD-UHFFFAOYSA-N
XLogP4.62
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 12966419) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is Nc1c(C2=NCCN2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is UJLSFKZUTWRQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S2/c21-17-16-13(12-5-2-1-3-6-12)11-14(15-7-4-10-25-15)24-20(16)26-18(17)19-22-8-9-23-19/h1-7,10-11H,8-9,21H2,(H,22,23).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 376.51 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 12966419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).