4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine

C19H14N2OS — CID 58622516

IUPAC4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine
SMILESNc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C19H14N2OS/c20-19-10-16-17(11-21-12-18(16)23-19)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeySGCUUCNYRUXHSV-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.34
Rot. Bonds3

About 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine

4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine (PubChem CID 58622516) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine.

Molecular Properties

Compound Name4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine
PubChem CID58622516
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine
SMILESNc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C19H14N2OS/c20-19-10-16-17(11-21-12-18(16)23-19)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeySGCUUCNYRUXHSV-UHFFFAOYSA-N
XLogP5.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine?
The IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine (CID 58622516) is 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine.
What is the SMILES notation for 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine?
The canonical SMILES for 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine is Nc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine?
The InChIKey is SGCUUCNYRUXHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c20-19-10-16-17(11-21-12-18(16)23-19)22-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,20H2.
What are the key properties of 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine?
4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine has a molecular weight of 318.40 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-amine is sourced from PubChem (CID 58622516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).