N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide

C9H9F3N4OS — CID 139660223

IUPACN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide
SMILESCCC(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C9H9F3N4OS/c1-3-6(17)15-16(2)8-14-7(9(10,11)12)5(4-13)18-8/h3H2,1-2H3,(H,15,17)
InChIKeyQJXCZHMIYQDLLU-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.91
Rot. Bonds3

About N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide

N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide (PubChem CID 139660223) has the molecular formula C9H9F3N4OS and a molecular weight of 278.26 g/mol. Its IUPAC name is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide
PubChem CID139660223
Molecular FormulaC9H9F3N4OS
Molecular Weight278.26 g/mol
Exact Mass278.04
IUPAC NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide
SMILESCCC(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C9H9F3N4OS/c1-3-6(17)15-16(2)8-14-7(9(10,11)12)5(4-13)18-8/h3H2,1-2H3,(H,15,17)
InChIKeyQJXCZHMIYQDLLU-UHFFFAOYSA-N
XLogP1.91
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide?
The IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide (CID 139660223) is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide.
What is the SMILES notation for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide?
The canonical SMILES for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide is CCC(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1.
What is the InChIKey of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide?
The InChIKey is QJXCZHMIYQDLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4OS/c1-3-6(17)15-16(2)8-14-7(9(10,11)12)5(4-13)18-8/h3H2,1-2H3,(H,15,17).
What are the key properties of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide?
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide has a molecular weight of 278.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylpropanehydrazide is sourced from PubChem (CID 139660223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).