(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene

C19H13FN4S — CID 91443491

IUPAC(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene
SMILESFc1ccc(C/N=N/c2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C19H13FN4S/c20-15-8-6-13(7-9-15)11-23-24-19-18-16(21-12-22-19)10-17(25-18)14-4-2-1-3-5-14/h1-10,12H,11H2/b24-23+
InChIKeyPNPXNWSSFBYOEF-WCWDXBQESA-N
MW348.41 g/mol
LogP5.78
Rot. Bonds4

About (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene

(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene (PubChem CID 91443491) has the molecular formula C19H13FN4S and a molecular weight of 348.41 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene
PubChem CID91443491
Molecular FormulaC19H13FN4S
Molecular Weight348.41 g/mol
Exact Mass348.08
IUPAC Name(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene
SMILESFc1ccc(C/N=N/c2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C19H13FN4S/c20-15-8-6-13(7-9-15)11-23-24-19-18-16(21-12-22-19)10-17(25-18)14-4-2-1-3-5-14/h1-10,12H,11H2/b24-23+
InChIKeyPNPXNWSSFBYOEF-WCWDXBQESA-N
XLogP5.78
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene?
The IUPAC name of (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene (CID 91443491) is (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene.
What is the SMILES notation for (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene?
The canonical SMILES for (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene is Fc1ccc(C/N=N/c2ncnc3cc(-c4ccccc4)sc23)cc1.
What is the InChIKey of (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene?
The InChIKey is PNPXNWSSFBYOEF-WCWDXBQESA-N. The full InChI is InChI=1S/C19H13FN4S/c20-15-8-6-13(7-9-15)11-23-24-19-18-16(21-12-22-19)10-17(25-18)14-4-2-1-3-5-14/h1-10,12H,11H2/b24-23+.
What are the key properties of (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene?
(4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene has a molecular weight of 348.41 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-(6-phenylthieno[3,2-d]pyrimidin-4-yl)diazene is sourced from PubChem (CID 91443491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).