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

C10H11F3N4OS — CID 139660254

IUPACN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide
SMILESCC(C)C(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C10H11F3N4OS/c1-5(2)8(18)16-17(3)9-15-7(10(11,12)13)6(4-14)19-9/h5H,1-3H3,(H,16,18)
InChIKeyKZGGCHSLWRCXMI-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.16
Rot. Bonds3

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

N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide (PubChem CID 139660254) has the molecular formula C10H11F3N4OS and a molecular weight of 292.29 g/mol. Its IUPAC name is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide
PubChem CID139660254
Molecular FormulaC10H11F3N4OS
Molecular Weight292.29 g/mol
Exact Mass292.06
IUPAC NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide
SMILESCC(C)C(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C10H11F3N4OS/c1-5(2)8(18)16-17(3)9-15-7(10(11,12)13)6(4-14)19-9/h5H,1-3H3,(H,16,18)
InChIKeyKZGGCHSLWRCXMI-UHFFFAOYSA-N
XLogP2.16
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.16
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',2-dimethylpropanehydrazide?
The IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide (CID 139660254) is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide.
What is the SMILES notation for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide?
The canonical SMILES for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide is CC(C)C(=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',2-dimethylpropanehydrazide?
The InChIKey is KZGGCHSLWRCXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4OS/c1-5(2)8(18)16-17(3)9-15-7(10(11,12)13)6(4-14)19-9/h5H,1-3H3,(H,16,18).
What are the key properties of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide?
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N',2-dimethylpropanehydrazide has a molecular weight of 292.29 g/mol, XLogP of 2.16, 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',2-dimethylpropanehydrazide is sourced from PubChem (CID 139660254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).