2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide

C8H11F2N3OS — CID 91321911

IUPAC2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide
SMILESCC(C(=O)NN)c1nc(C(C)(F)F)cs1
InChIInChI=1S/C8H11F2N3OS/c1-4(6(14)13-11)7-12-5(3-15-7)8(2,9)10/h3-4H,11H2,1-2H3,(H,13,14)
InChIKeyRYYVMMUBMSGPLJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.35
Rot. Bonds3

About 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide (PubChem CID 91321911) has the molecular formula C8H11F2N3OS and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide
PubChem CID91321911
Molecular FormulaC8H11F2N3OS
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide
SMILESCC(C(=O)NN)c1nc(C(C)(F)F)cs1
InChIInChI=1S/C8H11F2N3OS/c1-4(6(14)13-11)7-12-5(3-15-7)8(2,9)10/h3-4H,11H2,1-2H3,(H,13,14)
InChIKeyRYYVMMUBMSGPLJ-UHFFFAOYSA-N
XLogP1.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide (CID 91321911) is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide is CC(C(=O)NN)c1nc(C(C)(F)F)cs1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide?
The InChIKey is RYYVMMUBMSGPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3OS/c1-4(6(14)13-11)7-12-5(3-15-7)8(2,9)10/h3-4H,11H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide?
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide has a molecular weight of 235.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]propanehydrazide is sourced from PubChem (CID 91321911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).