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

C10H11F3N4OS — CID 139660229

IUPACN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide
SMILESCCCC(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C10H11F3N4OS/c1-3-4-7(18)16-17(2)9-15-8(10(11,12)13)6(5-14)19-9/h3-4H2,1-2H3,(H,16,18)
InChIKeyVUSLADSSIFZXAZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.30
Rot. Bonds4

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

N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide (PubChem CID 139660229) 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'-methylbutanehydrazide.

Molecular Properties

Compound NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide
PubChem CID139660229
Molecular FormulaC10H11F3N4OS
Molecular Weight292.29 g/mol
Exact Mass292.06
IUPAC NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide
SMILESCCCC(=O)NN(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C10H11F3N4OS/c1-3-4-7(18)16-17(2)9-15-8(10(11,12)13)6(5-14)19-9/h3-4H2,1-2H3,(H,16,18)
InChIKeyVUSLADSSIFZXAZ-UHFFFAOYSA-N
XLogP2.30
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.30
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'-methylbutanehydrazide?
The IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide (CID 139660229) is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide.
What is the SMILES notation for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide?
The canonical SMILES for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide is CCCC(=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'-methylbutanehydrazide?
The InChIKey is VUSLADSSIFZXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4OS/c1-3-4-7(18)16-17(2)9-15-8(10(11,12)13)6(5-14)19-9/h3-4H2,1-2H3,(H,16,18).
What are the key properties of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide?
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methylbutanehydrazide has a molecular weight of 292.29 g/mol, XLogP of 2.30, 4 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'-methylbutanehydrazide is sourced from PubChem (CID 139660229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).