[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine

C12H9ClN4S — CID 16776537

IUPAC[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C12H9ClN4S/c13-8-3-1-7(2-4-8)10-5-9-11(18-10)12(17-14)16-6-15-9/h1-6H,14H2,(H,15,16,17)
InChIKeyDZORQYHYNJKMGT-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.30
Rot. Bonds2

About [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine

[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine (PubChem CID 16776537) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
PubChem CID16776537
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C12H9ClN4S/c13-8-3-1-7(2-4-8)10-5-9-11(18-10)12(17-14)16-6-15-9/h1-6H,14H2,(H,15,16,17)
InChIKeyDZORQYHYNJKMGT-UHFFFAOYSA-N
XLogP3.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine (CID 16776537) is [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine is NNc1ncnc2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine?
The InChIKey is DZORQYHYNJKMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S/c13-8-3-1-7(2-4-8)10-5-9-11(18-10)12(17-14)16-6-15-9/h1-6H,14H2,(H,15,16,17).
What are the key properties of [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine?
[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine has a molecular weight of 276.75 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 16776537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).