[2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C12H8ClFN4S — CID 55153376

IUPAC[2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)cc2Cl)nc2sccc12
InChIInChI=1S/C12H8ClFN4S/c13-9-5-6(14)1-2-7(9)10-16-11(18-15)8-3-4-19-12(8)17-10/h1-5H,15H2,(H,16,17,18)
InChIKeyPGLUIPGYNRCMPL-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.44
Rot. Bonds2

About [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 55153376) has the molecular formula C12H8ClFN4S and a molecular weight of 294.74 g/mol. Its IUPAC name is [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID55153376
Molecular FormulaC12H8ClFN4S
Molecular Weight294.74 g/mol
Exact Mass294.01
IUPAC Name[2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)cc2Cl)nc2sccc12
InChIInChI=1S/C12H8ClFN4S/c13-9-5-6(14)1-2-7(9)10-16-11(18-15)8-3-4-19-12(8)17-10/h1-5H,15H2,(H,16,17,18)
InChIKeyPGLUIPGYNRCMPL-UHFFFAOYSA-N
XLogP3.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.44
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 [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 55153376) is [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc(F)cc2Cl)nc2sccc12.
What is the InChIKey of [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is PGLUIPGYNRCMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4S/c13-9-5-6(14)1-2-7(9)10-16-11(18-15)8-3-4-19-12(8)17-10/h1-5H,15H2,(H,16,17,18).
What are the key properties of [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 294.74 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 55153376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).