[2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine

C6H5F2N5S — CID 130689875

IUPAC[2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine
SMILESNNc1ncnc2sc(C(F)F)nc12
InChIInChI=1S/C6H5F2N5S/c7-3(8)6-12-2-4(13-9)10-1-11-5(2)14-6/h1,3H,9H2,(H,10,11,13)
InChIKeyCBLBXTSVABRUOP-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.31
Rot. Bonds2

About [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine

[2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine (PubChem CID 130689875) has the molecular formula C6H5F2N5S and a molecular weight of 217.20 g/mol. Its IUPAC name is [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine.

Molecular Properties

Compound Name[2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine
PubChem CID130689875
Molecular FormulaC6H5F2N5S
Molecular Weight217.20 g/mol
Exact Mass217.02
IUPAC Name[2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine
SMILESNNc1ncnc2sc(C(F)F)nc12
InChIInChI=1S/C6H5F2N5S/c7-3(8)6-12-2-4(13-9)10-1-11-5(2)14-6/h1,3H,9H2,(H,10,11,13)
InChIKeyCBLBXTSVABRUOP-UHFFFAOYSA-N
XLogP1.31
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine?
The IUPAC name of [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine (CID 130689875) is [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine.
What is the SMILES notation for [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine?
The canonical SMILES for [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine is NNc1ncnc2sc(C(F)F)nc12.
What is the InChIKey of [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine?
The InChIKey is CBLBXTSVABRUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N5S/c7-3(8)6-12-2-4(13-9)10-1-11-5(2)14-6/h1,3H,9H2,(H,10,11,13).
What are the key properties of [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine?
[2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine has a molecular weight of 217.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]hydrazine is sourced from PubChem (CID 130689875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).